PDB |
Accession |
UniProt |
Protein |
Exp |
Resolution |
Chain |
Profile |
Ligand |
CHEMBLID |
Smiles |
Bmcluster |
|
1E3G |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.40 |
A |
agonist |
R1881 |
CHEMBL166444 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |
1368.0 |
|
1T5Z |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.30 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
1T63 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.07 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
1T65 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.66 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
1XJ7 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.70 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
1XOW |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.80 |
A |
agonist |
R1881 |
CHEMBL166444 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |
1368.0 |
|
1XQ3 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.25 |
A |
agonist |
R1881 |
CHEMBL166444 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |
1368.0 |
|
2AM9 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.64 |
A |
agonist |
testosterone |
CHEMBL386630 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2AMA |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.90 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2AMB |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.75 |
A |
agonist |
tetrahydrogestrinone |
|
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12CC |
1368.0 |
|
2AO6 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.89 |
A |
agonist |
R1881 |
CHEMBL166444 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |
1368.0 |
|
2AX9 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.65 |
A |
agonist |
R-3 |
CHEMBL296323 |
C[C@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |
1337.0 |
|
2AXA |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.80 |
A |
agonist |
S-1 |
CHEMBL124718 |
C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |
1409.0 |
|
2HVC |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.10 |
A |
modulator |
LGD2226 |
CHEMBL436784 |
FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |
1421.0 |
|
2PIO |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.03 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIP |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.80 |
L |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIQ |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.40 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIR |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.10 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIT |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.76 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIU |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.12 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIV |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.95 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIW |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.58 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PIX |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.40 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PKL |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.49 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2PNU |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.65 |
A |
agonist |
EM5744 |
CHEMBL485835 |
C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(CCOCc3cc(F)cc(F)c3)CC[C@H]21 |
1435.0 |
|
2Q7I |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.87 |
A |
agonist |
testosterone |
CHEMBL386630 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2Q7J |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.90 |
A |
agonist |
testosterone |
CHEMBL386630 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
2Z4J |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.60 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
3B5R |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.80 |
A |
modulator |
C-31 |
CHEMBL512283 |
C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |
1409.0 |
|
3B65 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.80 |
A |
modulator |
S-24 |
|
C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |
1409.0 |
|
3B66 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.65 |
A |
modulator |
S-21 |
|
C[C@](O)(COc1ccc(cc1)[N+]([O-])=O)[C@@H](O)Nc1ccc(C#N)c(c1)C(F)(F)F |
1459.0 |
|
3B67 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.90 |
A |
modulator |
C-23 |
CHEMBL124493 |
C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |
1409.0 |
|
3B68 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.90 |
A |
modulator |
S-4 |
CHEMBL125236 |
CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |
1409.0 |
|
3L3X |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.55 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
3L3Z |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.00 |
A |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
3RLJ |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.90 |
A |
modulator |
S-22 |
|
C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |
1409.0 |
|
3V49 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.70 |
A |
modulator |
4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile |
|
CN1C(=O)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(C#N)c(c1)C(F)(F)F |
1503.0 |
|
3V4A |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.95 |
A |
modulator |
(5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one |
|
CN1C(=S)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 |
1503.0 |
|
4QL8 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.10 |
A |
modulator |
2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile |
|
CO[C@H]1[C@@H]2[C@@H](O)CCN2N=C1c1ccc(C#N)c(Cl)c1C |
1520.0 |
|
5CJ6 |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.07 |
A |
modulator |
2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile |
|
Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl |
1546.0 |
|
5JJM |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.15 |
A, B, C, D |
agonist |
DHT |
CHEMBL27769 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |
1368.0 |
|
5T8E |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.71 |
A |
modulator |
2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile |
|
C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c(Cl)c1C |
1448.0 |
|
5T8J |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
2.70 |
A |
modulator |
2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile |
|
C[C@@H]1N(CC[C@]1(C)O)c1ccc(C#N)c(F)c1C |
1448.0 |
|
5V8Q |
P10275 |
(ANDR_HUMAN) |
AR |
X-ray |
1.44 |
A |
modulator |
4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile |
|
CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(c1)C(F)(F)F |
1574.0 |
|
1A52 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.80 |
A |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
1ERE |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
3.10 |
A |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
1ERR |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.60 |
A |
modulator |
raloxifene |
CHEMBL81 |
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4 |
1370.0 |
|
1G50 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.90 |
A |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
1GWQ |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.45 |
A |
agonist |
raloxifene |
CHEMBL431698 |
Oc1ccc(cc1)-c1cc2ccc(O)cc2s1 |
1377.0 |
|
1GWR |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.40 |
A |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
1L2I |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.95 |
A |
agonist |
ZINC03940885 |
CHEMBL414213 |
CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC |
1383.0 |
|
1QKU |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
3.20 |
A, B, C |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
1R5K |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.70 |
A |
modulator |
GW5638 |
|
CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1 |
1395.0 |
|
1SJ0 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.90 |
A |
modulator |
ZINC03949855 |
CHEMBL304552 |
Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1 |
1399.0 |
|
1X7E |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.80 |
A, B |
agonist |
WAY-244 |
CHEMBL184151 |
Oc1ccc(cc1)-c1cc2cc(O)cc(CC#N)c2o1 |
1377.0 |
|
1X7R |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.00 |
A |
agonist |
genistein |
CHEMBL44 |
Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O |
1394.0 |
|
1XP1 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.80 |
A |
antagonist |
ZINC12501375 |
CHEMBL182980 |
C[C@H]1CN(CCOc2ccc(cc2)[C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)C[C@@H]1C |
1407.0 |
|
1XP6 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.70 |
A |
modulator |
ZINC16051663 |
CHEMBL183467 |
C[C@@H]1C[NH+](C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O |
1407.0 |
|
1XP9 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.80 |
A |
antagonist |
ZINC12502349 |
CHEMBL180792 |
C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)[NH+]5CCCC5 |
1407.0 |
|
1XPC |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.60 |
A |
modulator |
ZINC12502347 |
CHEMBL180300 |
C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)[NH+]5CCCC5 |
1407.0 |
|
1YIM |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.90 |
A |
modulator |
ZINC16051697 |
CHEMBL181936 |
C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCC[NH+]5CCCC5)O |
1407.0 |
|
1YIN |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.20 |
A |
modulator |
ZINC03948747 |
CHEMBL180146 |
C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCC[NH+]5CCCCC5 |
1399.0 |
|
2BJ4 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.00 |
A, B |
modulator |
4-hydroxytamoxifen |
CHEMBL489 |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
1395.0 |
|
2IOG |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.60 |
A |
modulator |
ZINC16052186 |
CHEMBL241303 |
C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCC[NH+]5CCCCC5 |
1425.0 |
|
2IOK |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.40 |
A |
modulator |
ZINC16052185 |
CHEMBL241301 |
C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4 |
1426.0 |
|
2JF9 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.10 |
A, B, C |
modulator |
4-hydroxytamoxifen |
CHEMBL489 |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
1395.0 |
|
2JFA |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.55 |
A, B |
modulator |
raloxifene |
CHEMBL81 |
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 |
1370.0 |
|
2OUZ |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.00 |
A |
modulator |
lasofoxifene |
CHEMBL328190 |
Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |
1431.0 |
|
2YJA |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.82 |
B |
agonist |
ESTRADIOL |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
3DT3 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.40 |
A |
modulator |
GW368 |
|
Cc1cc2cc(O)ccc2c(Oc2ccc(O)cc2)c1-c1cccc(O)c1 |
1464.0 |
|
3ERD |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.03 |
A, B |
agonist |
diethylstilbestrol |
CHEMBL411 |
CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 |
1446.0 |
|
3ERT |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.90 |
A |
modulator |
4-hydroxytamoxifen |
CHEMBL489 |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
1395.0 |
|
3UUC |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.10 |
A |
antagonist |
Bisphenol-C |
|
Oc1ccc(cc1)C(=C(Cl)Cl)c1ccc(O)cc1 |
1502.0 |
|
5N10 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
1.60 |
A |
NA |
NA |
|
|
|
|
5T92 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
2.22 |
A, B |
antagonist |
(2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid |
|
C[C@@]1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(\C=C\C(O)=O)cc1 |
1564.0 |
|
5T97 |
P03372 |
(ESR1_HUMAN) |
ERA |
X-ray |
3.00 |
A, B |
antagonist |
(2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid |
|
CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2[C@@]1(C)c1ccc(\C=C\C(O)=O)cc1 |
1564.0 |
|
1L2J |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.95 |
A |
antagonist |
ZINC03940885 |
CHEMBL414213 |
CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@H]2CC |
1383.0 |
|
1NDE |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
3.00 |
A |
antagonist |
ZINC01553578 |
CHEMBL346455 |
Oc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(n2)N2CCNCC2)cc1 |
1387.0 |
|
1QKM |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
1.80 |
A |
partial agonist |
genistein |
CHEMBL44 |
Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O |
1394.0 |
|
1U3Q |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.40 |
A |
agonist |
cl-272 |
CHEMBL360410 |
Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1 |
1402.0 |
|
1U3R |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.21 |
A, B |
agonist |
WAY-338 |
CHEMBL185918 |
Oc1ccc2nc(oc2c1)-c1cccc2c(O)cccc12 |
1403.0 |
|
1U3S |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.50 |
A, B |
agonist |
WAY-797 |
CHEMBL187105 |
Oc1ccc2c(noc2c1)-c1ccc2cc(O)ccc2c1 |
1404.0 |
|
1U9E |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.40 |
A, B |
agonist |
WAY-397 |
CHEMBL367588 |
Oc1ccc(cc1)-c1cc2cc(O)ccc2o1 |
1377.0 |
|
1X76 |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.20 |
A, B |
agonist |
WAY-697 |
CHEMBL363498 |
Oc1ccc(cc1)-c1cc2cc(O)cc(C#N)c2o1 |
1377.0 |
|
1X78 |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.30 |
A, B |
agonist |
WAY-244 |
CHEMBL184151 |
Oc1ccc(cc1)-c1cc2cc(O)cc(CC#N)c2o1 |
1377.0 |
|
1X7B |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.30 |
A, B |
agonist |
Erb-041 |
CHEMBL450940 |
Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1 |
1377.0 |
|
1X7J |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.30 |
A, B |
partial agonist |
genistein |
CHEMBL44 |
Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O |
1394.0 |
|
1YY4 |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.70 |
A, B |
agonist |
ZINC13645009 |
CHEMBL364092 |
c1cc(ccc1c2ccc3c(c2)ccc(c3Cl)O)O |
1410.0 |
|
1YYE |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.03 |
A, B |
agonist |
WAY-202196 |
CHEMBL192154 |
Oc1ccc2cc(cc(C#N)c2c1)-c1ccc(O)c(F)c1 |
1410.0 |
|
1ZAF |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.20 |
A, B |
agonist |
CHEMBL190467 |
CHEMBL190467 |
Oc1ccc(cc1)C1=C(Br)c2ccc(O)cc2C1=O |
1411.0 |
|
2GIU |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.20 |
A |
agonist |
ZINC16052063 |
ChEMBL12 |
CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br |
1418.0 |
|
2I0G |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.50 |
A |
agonist |
SERBA-1 |
CHEMBL278703 |
Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |
1423.0 |
|
2JJ3 |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.28 |
A |
agonist |
ZINC06716343 |
CHEMBL236086 |
COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O |
1423.0 |
|
2NV7 |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.10 |
A, B |
partial agonist |
WAY-555 |
CHEMBL395308 |
O\N=C\c1ccc(-c2ccc(O)cc2)c2ccccc12 |
1429.0 |
|
2QTU |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.53 |
A |
agonist |
ZINC14972457 |
CHEMBL236720 |
COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CC(C3)(F)F)c4ccc(cc4)O)O |
1423.0 |
|
2Z4B |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.34 |
A |
agonist |
ZINC14972438 |
CHEMBL236718 |
c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O |
1423.0 |
|
3OLL |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
1.50 |
A, B |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
3OLS |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.20 |
A, B |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
3OMO |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.21 |
A, B |
agonist |
ZINC58651027 |
CHEMBL1213617 |
Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F |
1488.0 |
|
3OMP |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.05 |
A, B |
agonist |
ZINC64754982 |
CHEMBL1615275 |
Oc1ccc2CCN(Cc2c1)C(=O)C(F)(F)F |
1488.0 |
|
3OMQ |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
1.97 |
A, B |
agonist |
ZINC64754986 |
CHEMBL1615276 |
Oc1ccc2CN(CCc2c1)S(=O)(=O)C(F)(F)F |
1488.0 |
|
4J24 |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.10 |
A |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
4J26 |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.30 |
A |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
5TOA |
Q92731 |
(ESR2_HUMAN) |
ERB |
X-ray |
2.50 |
A, B |
agonist |
estradiol |
CHEMBL135 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O |
1345.0 |
|
3D24 |
P11474 |
(ERR1_HUMAN) |
ERRA |
X-ray |
2.11 |
A |
apo |
|
|
|
|
|
3K6P |
P11474 |
(ERR1_HUMAN) |
ERRA |
X-ray |
2.00 |
A |
inverse agonist |
agonist |
ZINC58650239 |
|
COc1cc(C[C@H]2SC(=O)NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |
1478.0 |
1KV6 |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.70 |
A/B |
apo |
|
|
|
|
|
1TFC |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.40 |
A/B |
apo |
|
|
|
|
|
1VJB |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
3.20 |
A/B |
inverse agonist |
4-HYDROXYTAMOXIFEN |
CHEMBL489 |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
|
|
2E2R |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
1.60 |
A |
inverse antagonist |
BPA |
CHEMBL418971 |
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 |
|
|
2EWP |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.30 |
A/B/C/D/E |
inverse agonist |
GSK5182 |
|
CN(C)CCOc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(O)cc1 |
|
|
2GP7 |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.45 |
A/B/C/D |
apo |
|
|
|
|
|
2GPO |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
1.95 |
A |
apo |
|
|
|
|
|
2GPP |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.60 |
A/B |
agonist |
4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE |
GSK4716 |
CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1 |
|
|
2GPU |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
1.70 |
A |
inverse agonist |
4-HYDROXYTAMOXIFEN |
CHEMBL489 |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
|
|
2GPV |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.85 |
A/B/C/D/E/F |
inverse agonist |
4-HYDROXYTAMOXIFEN |
CHEMBL489 |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
|
|
2P7A |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.30 |
A |
inverse antagonist |
4-CHLORO-3-METHYLPHENOL |
|
Cc1cc(O)ccc1Cl |
|
|
2P7G |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.10 |
A |
inverse antagonist |
BPA |
CHEMBL418971 |
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 |
|
|
2P7Z |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.50 |
A |
inverse agonist |
4-HYDROXYTAMOXIFEN |
CHEMBL489 |
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 |
|
|
2ZAS |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
2.00 |
A |
inverse antagonist |
4-(1-methyl-1-phenylethyl)phenol |
CHEMBL194805 |
CC(C)(c1ccccc1)c1ccc(O)cc1 |
|
|
2ZBS |
P62508 |
(ERR3_HUMAN) |
ERRG |
X-ray |
1.80 |
A |
apo |
|
|
|
|
|
1OSH |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.80 |
A |
agonist |
fexaramine |
CHEMBL192966 |
COC(=O)CCc1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1 |
1390.0 |
|
3BEJ |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A, B |
agonist |
MFA-1 |
|
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)C(O)=O)[C@@H]1CC[C@@H]2C(=O)c1ccc(O)cc1 |
1461.0 |
|
3DCT |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.50 |
A |
agonist |
GW4064 |
|
CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |
1462.0 |
|
3DCU |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.95 |
A |
agonist |
GSK8062 |
|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |
1463.0 |
|
3FLI |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.00 |
A |
agonist |
XL335 |
|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |
1358.0 |
|
3HC5 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.60 |
A |
agonist |
GSK826 |
|
CC(C)c1onc(c1COc1ccc2cc(sc2c1)-c1cccc(c1)C(O)=O)-c1c(Cl)cccc1Cl |
1472.0 |
|
3L1B |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A |
agonist |
ZINC44460365 |
|
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1cc(F)ccc21)C(=O)c1ccc(OCCCN2CCOCC2)cc1 |
1485.0 |
|
3RUT |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
3.00 |
A |
agonist |
GSK359 |
|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(csc2c1)C(O)=O)-c1c(Cl)cccc1Cl |
1356.0 |
|
3RUU |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.50 |
A |
agonist |
GSK237 |
|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(c[nH]c2c1)C(O)=O)-c1c(Cl)cccc1Cl |
1356.0 |
|
3RVF |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
3.10 |
A |
agonist |
GSK2034 |
|
CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2[nH]c(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |
1356.0 |
|
4WVD |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.90 |
A, B |
partial agonist |
ivermectin |
|
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |
1530.0 |
|
5IAW |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.58 |
A, B |
modulator |
tschimgin |
|
CC1(C)[C@H]2CC[C@]1(C)[C@@H](C2)OC(=O)c1ccc(O)cc1 |
1553.0 |
|
5ICK |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.47 |
A, B |
modulator |
FEROLINE |
|
CC(C)[C@H]1\C=C/[C@@](C)(O)CC\C=C(C)/C[C@@H]1OC(=O)c1ccc(O)cc1 |
1554.0 |
|
5Q0I |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.70 |
A |
agonist |
2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide |
|
COc1ccc(cc1OC)N(CC(=O)NC(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)cc1 |
1346.0 |
|
5Q0J |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.00 |
A, C |
agonist |
(2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide |
|
O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(s1)-c1ccccc1 |
1347.0 |
|
5Q0L |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.50 |
A, C |
agonist |
(2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide |
|
OCc1ccc(cc1)-c1nc2ccccc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1 |
1348.0 |
|
5Q0M |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.20 |
A |
agonist |
5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid |
|
C[C@H](CCC(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
1349.0 |
|
5Q0N |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.40 |
A, C |
agonist |
5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid |
|
C[C@H](CCC(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
1349.0 |
|
5Q0O |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A, C |
agonist |
(2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide |
|
O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)C(=O)c1ccccc1 |
1350.0 |
|
5Q0P |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.80 |
A, C |
agonist |
4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}benzoic acid |
|
OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1 |
1351.0 |
|
5Q0Q |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.60 |
A, C |
agonist |
ethyl 4-({2-phenyl-5-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-3-carbonyl}amino)benzoate |
|
CCOC(=O)c1ccc(NC(=O)c2c3CN(CCc3nn2-c2ccccc2)S(=O)(=O)c2cccs2)cc1 |
1352.0 |
|
5Q0R |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.91 |
A |
agonist |
N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide |
|
Fc1ccccc1S(=O)(=O)N1CCc2cc(C(=O)NCc3ccccc3)n(Cc3ccccc3)c2C1 |
1353.0 |
|
5Q0S |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.50 |
A, C |
agonist |
(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide |
|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccccc3C#N)c2cc1F |
1348.0 |
|
5Q0T |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.14 |
A |
agonist |
2-phenyl-N-(propan-2-yl)-6-[(thiophen-2-yl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-1-carboxamide |
|
CC(C)NC(=O)n1c2CN(CCc2cc1-c1ccccc1)S(=O)(=O)c1cccs1 |
1354.0 |
|
5Q0U |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A, C |
agonist |
trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate |
|
OS(=O)(=O)O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |
1348.0 |
|
5Q0V |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.87 |
A, C |
agonist |
(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide |
|
Fc1ccccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |
1348.0 |
|
5Q0W |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A |
agonist |
4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid |
|
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Cl)c3cc(Br)ccc23)cc1 |
1355.0 |
|
5Q0X |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.26 |
A |
agonist |
6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid |
|
CC(C)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cncc1Cl |
1356.0 |
|
5Q0Y |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.20 |
A, C |
agonist |
(2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide |
|
Fc1cc2nc(-c3ccc(nc3)-n3cccn3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F |
1357.0 |
|
5Q0Z |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.26 |
A, C |
agonist |
ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate |
|
CCOC(=O)[C@H]1CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |
1358.0 |
|
5Q10 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.20 |
A |
agonist |
N-[3-(acetylamino)phenyl]-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide |
|
CC(=O)Nc1cccc(c1)N([C@@H](C1CCCCC1)C(=O)NC1CCCCC1)C(=O)c1ccc(Cl)cc1 |
1359.0 |
|
5Q11 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.20 |
A |
agonist |
N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide |
|
Cc1onc(c1C(=O)N(C1CCCCC1)C1CCCCC1)-c1ccc(Cl)cc1Cl |
1360.0 |
|
5Q12 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.00 |
A |
agonist |
2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine |
|
Cc1cccc(C)c1Nc1c(nc2cccc(C)n12)-c1c(F)cccc1F |
1361.0 |
|
5Q13 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A, C |
agonist |
(2S)-2-[6-chloro-2-(4-chlorophenyl)-5-fluoro-1H-benzimidazol-1-yl]-N-cyclohexyl-2-[(2S)-oxan-2-yl]acetamide |
|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H]([C@@H]3CCCCO3)C(=O)NC3CCCCC3)c2cc1Cl |
1348.0 |
|
5Q14 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.85 |
A, C |
agonist |
4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid |
|
OC(=O)c1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |
1351.0 |
|
5Q15 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A, C |
agonist |
(2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}acetamide |
|
CO[C@@H](c1nc2cc(F)c(F)cc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1)c1ccccc1 |
1362.0 |
|
5Q16 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.00 |
A, C |
agonist |
(2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide |
|
Cc1cc(Cl)ccc1OCc1nc2ccc(F)cc2n1[C@@H](C1CCCCC1)C(=O)NC1CCCCC1 |
1363.0 |
|
5Q17 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.10 |
A |
agonist |
4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid |
|
OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c3cc(Br)ccc23)cc1 |
1364.0 |
|
5Q18 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.90 |
A, C |
agonist |
(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide |
|
CO[C@@H](c1nc2cc(F)c(F)cc2n1[C@@H](C1CCCCC1)C(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1 |
1362.0 |
|
5Q19 |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.98 |
A, C |
agonist |
(2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide |
|
COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCCCC2)C(=O)NC2CCCCC2)c(OC)c1 |
1348.0 |
|
5Q1A |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.00 |
A, C |
agonist |
(2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide |
|
COc1ccc(-c2nc3ccccc3n2[C@@H](C2CCCCC2)C(=O)Nc2c(C)cccc2C)c(OC)c1 |
1348.0 |
|
5Q1B |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.30 |
A, C |
agonist |
4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid |
|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(cc2)-c2nccs2)cc1 |
1357.0 |
|
5Q1C |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.30 |
A, C |
agonist |
(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide |
|
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@H](O)CC2)c(OC)n1 |
1348.0 |
|
5Q1D |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.89 |
A, C |
agonist |
(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide |
|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccccc3)c2cc1F |
1348.0 |
|
5Q1E |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.85 |
A |
agonist |
N-{2-[(3R)-5-bromo-2-oxo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-2,3-dihydro-1H-indol-3-yl]ethyl}-N-ethylthiophene-2-sulfonamide |
|
CCN(CC[C@H]1C(=O)N(Cc2ccc(cc2)-c2nnn[nH]2)c2ccc(Br)cc12)S(=O)(=O)c1cccs1 |
1365.0 |
|
5Q1F |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.30 |
A, C |
agonist |
trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid |
|
COc1ccc(-c2nc3cc(F)ccc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1 |
1348.0 |
|
5Q1G |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.00 |
A |
agonist |
(2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide |
|
Fc1ccc(\C=C\C(=O)N(C2CCCCC2)C(=O)NC2CCCCC2)cc1 |
1366.0 |
|
5Q1H |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
2.20 |
A |
agonist |
(2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide |
|
O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)-c1nnn[nH]1 |
1357.0 |
|
5Q1I |
Q96RI1 |
(NR1H4_HUMAN) |
FXR |
X-ray |
1.95 |
A |
agonist |
3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide |
|
CC(C)c1onc(c1C(=O)N[C@H](C)c1ccc2ccccc2c1)-c1ccccc1Cl |
1367.0 |
|
1YOK |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
2.50 |
A |
NA |
(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE |
|
CCCCCCCCC\C=C\CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC |
|
|
1YUC |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.90 |
A, B |
NA |
L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE |
|
CCC\C=C\C\C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCC\C=C\CC\C=C\CC\C=C\C)CO[P@@](O)(=O)OCCN |
|
|
1ZDU |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
2.50 |
A |
NA |
PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL |
|
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@]([O-])(=O)OC[C@H](O)CO[P@]([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC |
|
|
3PLZ |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.75 |
A, B |
agonist |
GSK8470 |
|
CCC\C=C(/CCC)C1=C(c2ccccc2)[C@@]2(CCC[C@@H]2C1)Nc1ccccc1 |
1578.0 |
|
3TX7 |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
2.76 |
B |
NA |
(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE |
|
CCCCCCCCC\C=C\CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC |
|
|
4DOR |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.90 |
A, B |
apo |
|
|
|
|
|
4DOS |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
2.00 |
A |
NA |
DLPC |
|
CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC |
|
|
4PLD |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.75 |
A |
apo |
|
|
|
|
|
4PLE |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.75 |
A, C, E, G |
apo |
|
|
|
|
|
5L11 |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.85 |
A |
agonist |
RR-RJW100 |
|
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |
1579.0 |
|
5SYZ |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.93 |
A |
agonist |
SR-RJW100 |
|
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](O)[C@@H]2C1)C(=C)c1ccccc1 |
1579.0 |
|
5UNJ |
O00482 |
(NR5A2_HUMAN) |
LRH-1 |
X-ray |
1.96 |
A |
agonist |
RR-RJW100 |
|
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |
1579.0 |
|
1UHL |
Q13133 |
(NR1H3_HUMAN) |
LXRA |
X-ray |
2.90 |
B |
agonist |
T0901317 |
CHEMBL62136 |
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F |
1346.0 |
|
3IPQ |
Q13133 |
(NR1H3_HUMAN) |
LXRA |
X-ray |
2.00 |
A |
agonist |
GW3965 |
|
OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 |
1392.0 |
|
3IPS |
Q13133 |
(NR1H3_HUMAN) |
LXRA |
X-ray |
2.26 |
A, B |
agonist |
F3-MethylAA |
|
CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F |
1476.0 |
|
3IPU |
Q13133 |
(NR1H3_HUMAN) |
LXRA |
X-ray |
2.40 |
A, B |
agonist |
Benzisoxazole urea |
|
CCCc1c(OCCCN(C)C(=O)Nc2ccc(cc2)C(O)=O)ccc2c(noc12)C(F)(F)F |
1477.0 |
|
5AVI |
Q13133 |
(NR1H3_HUMAN) |
LXRA |
X-ray |
2.70 |
A, C |
agonist |
Tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate |
|
CN(C(C)=O)c1ccc(OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F)cc1 |
1446.0 |
|
5AVL |
Q13133 |
(NR1H3_HUMAN) |
LXRA |
X-ray |
2.80 |
A |
agonist |
2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid |
|
CC(C)(C)OC(=O)c1c(O)c(ccc1COc1ccc(cc1)-c1ccc(CC(O)=O)cc1)C(F)(F)F |
1544.0 |
|
5HJS |
Q13133 |
(NR1H3_HUMAN) |
LXRA |
X-ray |
1.72 |
A, B |
partial agonist |
2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2- (trifluoromethyl)butanoyl]-4,4'-bipiperidin- 1-yl}-N,N-dimethylbenzamide |
|
CC(C)[C@@](O)(C(=O)N1CCC(CC1)C1CCN(CC1)c1ccc(C(=O)N(C)C)c(Cl)c1)C(F)(F)F |
1552.0 |
|
1P8D |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.80 |
A, B |
agonist |
24(S)-25-epoxycholesterol |
CHEMBL434302 |
C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
1391.0 |
|
1PQ6 |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.40 |
A, B, D |
agonist |
GW3965 |
|
OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 |
1392.0 |
|
1PQ9 |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.10 |
A, B, C, D |
agonist |
T0901317 |
CHEMBL62136 |
OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 |
1392.0 |
|
1PQC |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.80 |
A |
agonist |
T0901317 |
CHEMBL62136 |
OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 |
1392.0 |
|
1UPV |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.10 |
A |
agonist |
T0901317 |
CHEMBL62136 |
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F |
1346.0 |
|
1UPW |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.40 |
A |
agonist |
T0901317 |
CHEMBL62136 |
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F |
1346.0 |
|
3KFC |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.40 |
A, B, D |
agonist |
ZINC44460342 |
CHEMBL593241 |
CS(=O)(=O)c1cccc(Oc2cccc(c2)-c2ccnc3c(cccc23)C(F)(F)F)c1 |
1481.0 |
|
4DK7 |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.45 |
A, C |
agonist |
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide |
|
CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1 |
1346.0 |
|
4DK8 |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.75 |
A, C |
agonist |
N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy- 1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide |
|
COCCn1cccc1[C@@](O)(c1ccc(cc1)N(C)S(=O)(=O)c1ccccc1)C(F)(F)F |
1510.0 |
|
4NQA |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
3.10 |
B, I |
agonist |
[3-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)phenyl]acetic acid |
|
OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1 |
1392.0 |
|
4RAK |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.04 |
A |
partial agonist |
2-[2-[2-(2-chlorophenyl)propan-2-yl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol |
|
CC(C)(O)c1cn(c(n1)C(C)(C)c1ccccc1Cl)-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |
1523.0 |
|
5JY3 |
P55055 |
(NR1H2_HUMAN) |
LXRB |
X-ray |
2.40 |
A, B, C, D |
agonist |
BMS-852927 |
|
CC(C)(O)c1cn(c(n1)C(C)(C)c1c(Cl)cccc1Cl)-c1ccc(cc1F)-c1cc(F)c(CO)c(c1)S(C)(=O)=O |
1523.0 |
|
5L7E |
P08235 |
(MCR_HUMAN) |
MR |
X-ray |
1.86 |
A |
antagonist |
~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide |
|
Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2ccccc2)cc1 |
1559.0 |
|
5L7G |
P08235 |
(MCR_HUMAN) |
MR |
X-ray |
2.01 |
A |
antagonist |
~{N}-[[4-[5-[[2,3-bis(fluoranyl)phenoxy]methyl]-3-methyl-1,2-oxazol-4-yl]phenyl]methyl]-1-methyl-cyclopropane-1-sulfonamide |
|
Cc1noc(COc2cccc(F)c2F)c1-c1ccc(CNS(=O)(=O)C2(C)CC2)cc1 |
1560.0 |
|
5L7H |
P08235 |
(MCR_HUMAN) |
MR |
X-ray |
1.84 |
A |
antagonist |
3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione |
|
Cc1noc2COc3cccc(CCCS(=O)(=O)NCc4ccc(cc4)-c12)c3 |
1561.0 |
|
1I7G |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.20 |
A |
agonist |
tesaglitazar |
CHEMBL282686 |
CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |
1380.0 |
|
1K7L |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.50 |
A, C, E, G |
agonist |
GW409544 |
|
C\C(N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O)=C\C(=O)c1ccccc1 |
1381.0 |
|
1KKQ |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
3.00 |
A |
antagonist |
GW6471 |
|
CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)N\C(C)=C/C(=O)c1ccc(cc1)C(F)(F)F |
1381.0 |
|
2NPA |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.30 |
A, C |
agonist |
ZINC16052251 |
CHEMBL389298 |
CCCO/N=C(\C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)[O-] |
1428.0 |
|
2P54 |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
1.79 |
A |
agonist |
GW735 |
CHEMBL219586 |
Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F |
1433.0 |
|
2REW |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.35 |
A |
agonist |
BMS631707 |
|
COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |
1442.0 |
|
2ZNN |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.01 |
A |
agonist |
TIPP703 |
|
CCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |
1450.0 |
|
3ET1 |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.50 |
A, B |
agonist |
indeglitazar |
CHEMBL1232583 |
COc1ccc(cc1)S(=O)(=O)n1cc(CCC(O)=O)c2cc(OC)ccc12 |
1467.0 |
|
3FEI |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.40 |
A |
agonist |
ZINC03947979 |
|
CCO[C@@H](Cc1ccc(OCc2csc(n2)-c2ccc(Cl)cc2)cc1C)C(O)=O |
1428.0 |
|
3G8I |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.20 |
A |
agonist |
aleglitazar |
CHEMBL519504 |
CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O |
1469.0 |
|
3KDT |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.70 |
A |
agonist |
BMS687453 |
|
COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 |
1428.0 |
|
3KDU |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.07 |
A |
agonist |
ZINC44460340 |
CHEMBL1089210 |
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1 |
1480.0 |
|
3SP6 |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.21 |
A |
agonist |
Iloprost |
CHEMBL494 |
CC#CC[C@@H](C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O |
1498.0 |
|
3VI8 |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
1.75 |
A |
agonist |
APHM13 |
|
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(O)=O |
1505.0 |
|
4BCR |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.50 |
A |
agonist |
WY14643 |
|
Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C |
1328.0 |
|
4CI4 |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
2.30 |
A |
agonist |
GL479 |
|
CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O |
1473.0 |
|
5HYK |
Q07869 |
(PPARA_HUMAN) |
PPARA |
X-ray |
1.83 |
A |
agonist |
AL26-29 |
|
CC(C)(Oc1ccc(cc1)-c1cccc2ccccc12)C(O)=O |
1429.0 |
|
1GWX |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.50 |
A |
agonist |
GW2433 |
|
CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc2cccc(Cl)c2Cl)cc1)C(O)=O |
1378.0 |
|
1Y0S |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.65 |
A |
agonist |
GW2331 |
|
CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F |
1409.0 |
|
2AWH |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.00 |
A |
agonist |
VACCENIC acid |
CHEMBL1236642 |
CCCCCC\C=C/CCCCCCCCCC(O)=O |
|
|
2GWX |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.30 |
A |
apo |
|
|
|
|
|
2J14 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.80 |
A |
agonist |
ZINC37866948 |
CHEMBL374078 |
c1ccc(cc1)c2c(c(no2)c3cccc(c3)CC(=O)[O-])C(=O)NCCOc4ccc(cc4Cl)Cl |
1427.0 |
|
2Q5G |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.70 |
A |
partial agonist |
ZINC28954799 |
CHEMBL400300 |
c1cc(ccc1C#Cc2cc(cc(n2)C#CCN3CCOCC3)Sc4ccc(c5c4CCC5)OCC(=O)[O-])C(F)(F)F |
1437.0 |
|
2XYJ |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.30 |
A |
agonist |
ZINC64744288 |
CHEMBL1615279 |
CC(C)c1nnc(s1)[N-]S(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl |
1443.0 |
|
2XYW |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
3.14 |
A |
agonist |
ZINC64746605 |
CHEMBL1614727 |
CC(C)c1nnc(s1)[N-]S(=O)(=O)c2ccc(cc2)CCNC(=O)c3c(c4ccc(cc4s3)F)Cl |
1444.0 |
|
2XYX |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.70 |
A |
agonist |
ZINC58638849 |
CHEMBL1236923 |
CC(C)c1nnc(s1)[N-]S(=O)(=O)c2ccc(cc2)CCNc3c(cc(cn3)C(F)(F)F)Cl |
1445.0 |
|
2ZNP |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
3.00 |
A |
agonist |
TIPP204 |
|
CCCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c1ccc(cc1F)C(F)(F)F |
1451.0 |
|
2ZNQ |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.65 |
A |
agonist |
TIPP401 |
CHEMBL202609 |
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2F)C(F)(F)F)c1)C(O)=O |
1451.0 |
|
3DY6 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.90 |
A |
partial agonist |
ZINC13261360 |
CHEMBL523395 |
c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)Nc4ccccc4C(=O)[O-] |
1465.0 |
|
3ET2 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.24 |
A, B |
agonist |
indeglitazar |
CHEMBL1232583 |
COc1ccc(cc1)S(=O)(=O)n1cc(CCC(O)=O)c2cc(OC)ccc12 |
1467.0 |
|
3GWX |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.40 |
A |
agonist |
eicosapentaenoic acid |
CHEMBL460026 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O |
|
|
3OZ0 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
3.00 |
A |
agonist |
azppard02 |
|
Cc1cc(CN2Cc3ccccc3[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O |
1490.0 |
|
3PEQ |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.40 |
A, B |
partial agonist |
2-[4-[butyl-[2-methyl-3-(4-methylsulfanylphenyl)phenyl]sulfamoyl]naphthalen-1-yl]oxyethanoic acid |
|
CCCCN(c1cccc(c1C)-c1ccc(SC)cc1)S(=O)(=O)c1ccc(OCC(O)=O)c2ccccc12 |
1493.0 |
|
3SP9 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.30 |
A |
agonist |
Iloprost |
CHEMBL494 |
CC#CC[C@@H](C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O |
1498.0 |
|
3TKM |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.95 |
A |
agonist |
GW0742 |
CHEMBL38508 |
Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F |
1428.0 |
|
5U3Q |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.50 |
A, B |
agonist |
6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid |
|
CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccccc1 |
1565.0 |
|
5U3R |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.95 |
A, B |
agonist |
6-[2-({[4-(furan-2-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid |
|
CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccco1 |
1566.0 |
|
5U3S |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.00 |
A, B |
agonist |
6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid |
|
CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccoc1 |
1566.0 |
|
5U3T |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.70 |
A, B |
agonist |
6-[2-({(propan-2-yl)[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
CC(C)N(Cc1ccccc1OCCCCCC(O)=O)C(=O)c1ccc(cc1)-c1ccsc1 |
1566.0 |
|
5U3U |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.10 |
A |
agonist |
6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CCCC1)C(=O)c1ccc(cc1)-c1ccco1 |
1567.0 |
|
5U3V |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.84 |
A, B |
agonist |
6-[2-({cyclopentyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CCCC1)C(=O)c1ccc(cc1)-c1ccoc1 |
1567.0 |
|
5U3W |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.80 |
A, B |
agonist |
6-(2-{[([1,1'-biphenyl]-4-carbonyl)(cyclopropyl)amino]methyl}phenoxy)hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CC1)C(=O)c1ccc(cc1)-c1ccccc1 |
1568.0 |
|
5U3X |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.10 |
A, B |
agonist |
6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CC1)C(=O)c1ccc(cc1)-c1cccnc1 |
1568.0 |
|
5U3Y |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.90 |
A, B |
agonist |
6-[2-({cyclopropyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CC1)C(=O)c1ccc(cc1)-c1ccco1 |
1569.0 |
|
5U3Z |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.72 |
A, B |
agonist |
6-[2-({cyclopropyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CC1)C(=O)c1ccc(cc1)-c1ccoc1 |
1569.0 |
|
5U40 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.00 |
A, B |
agonist |
6-[2-({benzyl[4-(furan-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccoc1 |
1570.0 |
|
5U41 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.90 |
A, B |
agonist |
6-[2-({benzyl[4-(thiophen-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccsc1 |
1570.0 |
|
5U42 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.70 |
A, B |
agonist |
6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
|
COc1cccc(c1)-c1ccc(cc1)C(=O)N(Cc1ccccc1OCCCCCC(O)=O)C1CC1 |
1568.0 |
|
5U43 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.90 |
A, B |
agonist |
6-(2-{[cyclopropyl(4'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
|
COc1ccc(cc1)-c1ccc(cc1)C(=O)N(Cc1ccccc1OCCCCCC(O)=O)C1CC1 |
1568.0 |
|
5U44 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.15 |
A, B |
agonist |
6-(2-{[cyclopropyl(2'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CC1)C(=O)c1ccc(cc1)-c1ccccc1F |
1568.0 |
|
5U45 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
1.95 |
A, B |
agonist |
6-(2-{[cyclopropyl(3'-fluoro[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid |
|
OC(=O)CCCCCOc1ccccc1CN(C1CC1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |
1568.0 |
|
5U46 |
Q03181 |
(PPARD_HUMAN) |
PPARB |
X-ray |
2.00 |
A, B |
agonist |
GW501516 |
CHEMBL38943 |
Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F |
1428.0 |
|
3 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
3.10 |
D |
antagonist |
GW9662 |
CHEMBL375270 |
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1 |
1331.0 |
|
1FM6 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
D, X |
agonist |
rosiglitazone |
CHEMBL121 |
CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 |
1375.0 |
|
1FM9 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
D |
agonist |
GI262570 |
|
Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 |
1376.0 |
|
1I7I |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.35 |
A |
agonist |
tesaglitazar |
CHEMBL282686 |
CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |
1380.0 |
|
1K74 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
D |
agonist |
GW409544 |
|
C\C(N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O)=C\C(=O)c1ccccc1 |
1381.0 |
|
1KNU |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.50 |
A |
agonist |
YPA |
CHEMBL86658 |
CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O |
1382.0 |
|
1NYX |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.65 |
A |
agonist |
ragaglitazar |
CHEMBL24038 |
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O |
1389.0 |
|
1PRG |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.20 |
A |
apo |
|
|
|
|
|
1RDT |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
D |
agonist |
farglitazar |
CHEMBL107367 |
Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 |
1376.0 |
|
1WM0 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.90 |
X |
agonist |
ZINC12358153 |
CHEMBL1204498 |
OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl |
1405.0 |
|
1ZEO |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.50 |
A |
agonist |
c01 |
|
CCCc1cc2c(on(C)c2=O)c(CCC)c1O[C@H](C([O-])=O)c1ccc(cc1)C(C)C |
1412.0 |
|
1ZGY |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.80 |
A |
agonist |
rosiglitazone |
CHEMBL121 |
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 |
1375.0 |
|
2ATH |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.28 |
A |
agonist |
ZINC13677960 |
CHEMBL200495 |
CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)[O-] |
1414.0 |
|
2F4B |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.07 |
A |
agonist |
EHA |
CHEMBL201880 |
CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1 |
1415.0 |
|
2FVJ |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.99 |
A |
partial agonist |
ZINC24777538 |
CHEMBL1235710 |
COc1ccccc1C2CC[NH+](CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC |
1416.0 |
|
2G0G |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.54 |
A |
partial agonist |
ZINC01047087 |
CHEMBL378160 |
c1cc(cc(c1)S(=O)(=O)[N-]c2cc(nn2c3ccc(cc3)F)c4cccs4)F |
1417.0 |
|
2G0H |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A, B |
partial agonist |
ZINC24800189 |
CHEMBL208472 |
c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)[N-]S(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F |
1417.0 |
|
2GTK |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A |
agonist |
ZINC03942732 |
CHEMBL209749 |
CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)[O-] |
1419.0 |
|
2HFP |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
NA |
NSI |
|
COc1ccc(cc1)-c1c(C(=O)NS(=O)(=O)c2ccccc2)n(Cc2cccc(c2)C(F)(F)F)c2ccccc12 |
1420.0 |
|
2HWQ |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.97 |
A |
agonist |
dry |
|
CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc2cc(ccc12)C(=O)c1ccccc1 |
1422.0 |
|
2HWR |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.34 |
A |
agonist |
drd |
|
CCCc1c(OCCCn2ccc3c(OC(C)(C)C(O)=O)cccc23)ccc2cc(ccc12)C(=O)c1ccccc1 |
1422.0 |
|
2I4J |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A |
agonist |
LT160 |
|
CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |
1424.0 |
|
2I4P |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A |
partial agonist |
LT127 |
|
CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |
1424.0 |
|
2I4Z |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.25 |
A |
partial agonist |
LT127 |
|
CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |
1424.0 |
|
2OM9 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.80 |
A |
partial agonist |
ajulemic acid |
CHEMBL320408 |
CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(=CC[C@H]3C(C)(C)Oc2c1)C(O)=O |
1430.0 |
|
2P4Y |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.25 |
A |
agonist |
ZINC03942601 |
CHEMBL1231547 |
Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)[O-])OC(F)(F)F)c4c5ccc(cc5on4)OC |
1432.0 |
|
2POB |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
inverse agonist |
GW4709 |
|
CC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)Nc1ccccc1C(=O)c1ccccc1 |
1376.0 |
|
2PRG |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A, B |
agonist |
rosiglitazone |
CHEMBL121 |
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 |
1375.0 |
|
2Q59 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.20 |
B |
partial agonist |
MRL20 |
|
COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2O[C@@H](C)C(O)=O)c2cc(OC(F)(F)F)ccc12 |
1436.0 |
|
2Q5P |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
partial agonist |
MRL24 |
|
COc1ccc(cc1)C(=O)n1c(C)c(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2cc(OC(F)(F)F)ccc12 |
1436.0 |
|
2Q5S |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.05 |
A |
partial agonist |
nTZDpa |
CHEMBL370152 |
OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1 |
1438.0 |
|
2Q61 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.20 |
A |
agonist |
SR145 |
|
OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccccc1 |
1438.0 |
|
2Q6R |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.41 |
A |
partial agonist |
SF147 |
|
COc1cccc(Cn2c(C(O)=O)c(Sc3ccccc3)c3cc(Cl)ccc23)c1 |
1438.0 |
|
2Q6S |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
B |
agonist |
BVT13 |
CHEMBL1204498 |
OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl |
1405.0 |
|
2Q8S |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
agonist |
ZINC35999854 |
CHEMBL477095 |
Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)[O-])n4cccc4 |
1439.0 |
|
2VSR |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.05 |
A |
agonist |
9-S-HODE |
CHEMBL1230670 |
CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O |
|
|
2VST |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.35 |
A |
agonist |
13-S-HODE |
CHEMBL451721 |
CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O |
|
|
2VV0 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.55 |
A |
agonist |
DHA |
CHEMBL367149 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O |
|
|
2VV1 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.20 |
A |
agonist |
4-HDHA |
|
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCC(O)=O |
|
|
2VV2 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.75 |
A |
agonist |
5-HEPA |
|
CC\C=C/C\C=C/C\C=C/C\C=C/C=C/[C@H](O)CCCC(O)=O |
|
|
2VV3 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.85 |
A |
agonist |
4-oxoDHA |
|
CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCC(O)=O |
|
|
2VV4 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.35 |
A |
agonist |
6-oxoOTE |
|
CCCCC\C=C/C\C=C/[C@H](O)CC(=O)CCCCC(O)=O |
|
|
2YFE |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
agonist |
Amorfrutin |
1 |
|
COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1CC=C(C)C |
1446.0 |
2ZK0 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.36 |
A |
apo |
|
|
|
|
|
2ZK1 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.61 |
A |
agonist |
15d-PGJ2 |
CHEMBL1210221 |
CCCCC\C=C\C=C1\[C@@H](C\C=C\CCCC(O)=O)C=CC1=O |
1447.0 |
|
2ZK2 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.26 |
A |
agonist |
15d-PGJ2 |
CHEMBL1210221 |
CCCCC\C=C\C=C1\[C@@H](C\C=C\CCCC(O)=O)C=CC1=O |
1447.0 |
|
2ZK3 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.58 |
A |
agonist |
ZINC39030560 |
CHEMBL1234941 |
CCCCC/C=C/C/C=C/C=C/C(=O)C/C=C/CCCC(=O)[O-] |
|
|
2ZK4 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.57 |
A |
agonist |
ZINC04629855 |
CHEMBL418941 |
CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] |
|
|
2ZK5 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.45 |
A |
agonist |
ZINC6050692 |
CHEMBL1234823 |
CCC/C(=C/c1ccc(o1)c2cccc(c2)C(=O)[O-])/[N+](=O)[O-] |
1448.0 |
|
2ZK6 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.41 |
A |
agonist |
C8-BODIPY |
|
CCCCCCCCc1ccc2C=C3C=CC(CCCCC(O)=O)=[N+]3[B-](F)(F)n12 |
1449.0 |
|
2ZNO |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
A |
agonist |
TIPP703 |
|
CCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |
1450.0 |
|
3ADS |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.25 |
A |
agonist |
indomethacin |
CHEMBL6 |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 |
1453.0 |
|
3ADT |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.70 |
A |
agonist |
5-hydroxy-indole acetate |
|
OC(=O)Cc1c[nH]c2ccc(O)cc12 |
1454.0 |
|
3ADU |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.77 |
A |
agonist |
5-methoxy-indole acetate |
|
COc1ccc2[nH]cc(CC(O)=O)c2c1 |
1454.0 |
|
3ADV |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.27 |
A |
agonist |
serotonin |
CHEMBL39 |
NCCc1c[nH]c2ccc(O)cc12 |
1454.0 |
|
3ADW |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.07 |
A |
agonist |
5-methoxy-indole acetate |
|
COc1ccc2[nH]cc(CC(O)=O)c2c1 |
1454.0 |
|
3ADX |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.95 |
A |
agonist |
indomethacin |
|
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 |
1453.0 |
|
3AN3 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
agonist |
MO3S |
|
CCCOc1ccc(C[C@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |
1455.0 |
|
3AN4 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
agonist |
MO4R |
|
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |
1455.0 |
|
3B1M |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.60 |
A |
partial agonist |
Cerco-A |
|
CCc1ccc2ccccc2c1CNC(=O)c1c2OC3=CC(O)=C(C(C)=O)C(=O)[C@@]3(C)c2c(O)cc1OC |
1457.0 |
|
3B3K |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.60 |
A |
agonist |
LT175 |
CHEMBL191275 |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |
1458.0 |
|
3BC5 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.27 |
A |
agonist |
ZINC39040546 |
CHEMBL491751 |
Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)[O-] |
1460.0 |
|
3CDP |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.80 |
A |
partial agonist |
ZINC13671687 |
CHEMBL364748 |
c1ccc(cc1)C[C@@H](C(=O)[O-])Oc2ccc(cc2)Cl |
1380.0 |
|
3CDS |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.65 |
A |
agonist |
LT248 |
CHEMBL191060 |
CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |
1380.0 |
|
3CS8 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
agonist |
rosiglitazone |
CHEMBL121 |
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 |
1375.0 |
|
3CWD |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
A, B |
agonist |
LNA |
|
CCCCC\C=C/C\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O |
|
|
3D6D |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
A |
agonist |
LT175 |
CHEMBL191275 |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |
1458.0 |
|
3DZU |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
3.20 |
D |
agonist |
BVT13 |
CHEMBL1204498 |
OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(Cl)cc1Cl |
1405.0 |
|
3DZY |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
3.10 |
D |
agonist |
rosiglitazone |
CHEMBL121 |
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 |
1375.0 |
|
3ET0 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
A |
agonist |
ZINC00195148 |
CHEMBL1232582 |
COc1ccc2[nH]cc(CCC(O)=O)c2c1 |
1454.0 |
|
3ET3 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.95 |
A, B |
agonist |
indeglitazar |
CHEMBL1232583 |
COc1ccc(cc1)S(=O)(=O)n1cc(CCC(O)=O)c2cc(OC)ccc12 |
1467.0 |
|
3FEJ |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.01 |
A |
agonist |
ZINC03947979 |
|
CCO[C@@H](Cc1ccc(OCc2csc(n2)-c2ccc(Cl)cc2)cc1C)C(O)=O |
1428.0 |
|
3FUR |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
modulator |
INT131 |
|
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 |
1468.0 |
|
3G9E |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
agonist |
aleglitazar |
CHEMBL519504 |
CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O |
1469.0 |
|
3GBK |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
agonist |
ZINC42834179 |
CHEMBL508163 |
CCCc1cc(ccc1OCCCN1CCCc2c(OC(C)(C)C(O)=O)cccc12)C(=O)c1ccc(cc1)-c1ccccc1 |
1470.0 |
|
3H0A |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
D |
agonist |
ZINC42804868 |
CHEMBL501440 |
CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |
1471.0 |
|
3HO0 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.60 |
A |
agonist |
ZINC40423527 |
CHEMBL489075 |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |
1473.0 |
|
3HOD |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A |
partial agonist |
ZINC45284038 |
CHEMBL572794 |
OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |
1474.0 |
|
3IA6 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.31 |
A |
agonist |
ZINC13974182 |
CHEMBL593796 |
Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1 |
1439.0 |
|
3K8S |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.55 |
A |
agonist |
T2384 |
|
FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Sc2nc3cc(Cl)ccc3s2)c(Cl)c1 |
1479.0 |
|
3KMG |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A |
modulator |
GSK538 |
|
CC[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccccc1 |
1344.0 |
|
3LMP |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.90 |
A |
modulator |
ZINC34985333 |
CHEMBL1231733 |
COc1cc(O)c2c(OC3=CC(O)=C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |
1457.0 |
|
3NOA |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.98 |
A |
agonist |
ZINC66166267 |
CHEMBL1738746 |
CCCc1cc(ccc1OCCCOc1ccc2n(CC(O)=O)ccc2c1)C(=O)c1ccc(cc1)-c1ccccc1 |
1486.0 |
|
3OSI |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.70 |
A |
agonist |
TCBPA |
|
CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 |
1328.0 |
|
3OSW |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.55 |
A |
agonist |
TBBPA |
|
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1 |
1328.0 |
|
3PBA |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
agonist |
monoTBBPA |
|
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OS(O)(=O)=O)c(Br)c1 |
1328.0 |
|
3PRG |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.90 |
A |
apo |
|
|
|
|
|
3QT0 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.50 |
A |
agonist |
Mifepristone |
CHEMBL1276308 |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |
1388.0 |
|
3R5N |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
agonist |
magnolol |
CHEMBL180920 |
Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O |
1494.0 |
|
3R8A |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.41 |
A |
agonist |
2-ethyl-5,7-dimethyl-3-{(1S)-5-[2-(1H-tetrazol- 5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3H- imidazo[4,5-b]pyridine |
|
CCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |
1495.0 |
|
3R8I |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
partial agonist |
RT86 |
|
CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c1nc2ccccc2o1 |
1424.0 |
|
3S9S |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.55 |
A |
partial agonist |
GSK1997132B |
|
CC[C@@H](NC(=O)c1ccc2n(Cc3ccc(Cl)c(Cl)c3)c(C)nc2c1)c1ccccc1 |
1497.0 |
|
3SZ1 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
B |
partial agonist |
Luteolin |
CHEMBL151 |
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 |
1499.0 |
|
3T03 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A, B |
partial agonist |
GQ-16 |
|
COc1ccc(Br)cc1\C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O |
1500.0 |
|
3TY0 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
modulator |
(R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione |
|
COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(=O)NC2=O)c1=O |
1501.0 |
|
3U9Q |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.52 |
A |
partial agonist |
Decanoic acid |
CHEMBL107498 |
CCCCCCCCCC(O)=O |
|
|
3V9T |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.65 |
A |
modulator |
(9aS)-8-acetyl-N-[(3-ethoxynaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide |
|
CCOc1cc(CNC(=O)c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |
1457.0 |
|
3V9V |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.60 |
A |
modulator |
methyl 3-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy- 3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan- 4-yl]carbonyl}amino)methyl]naphthalen-2-yl}propanoate |
|
COC(=O)CCc1cc(CNC(=O)c2c3OC4=CC(O)=C(C(C)=O)C(=O)[C@@]4(C)c3c(O)cc2OC)c2ccccc2c1 |
1457.0 |
|
3V9Y |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A |
modulator |
4-{4-[({[(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy- 9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan- 4-yl]carbonyl}amino)methyl]naphthalen-2-yl}butanoic acid |
|
COc1cc(O)c2c(OC3=CC(O)=C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cc(CCCC(O)=O)cc2ccccc12 |
1457.0 |
|
3VJH |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.22 |
A |
agonist |
JKPL35 |
|
CCC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(cc2)C(F)(F)F)c1)C(O)=O |
1451.0 |
|
3VJI |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.61 |
A |
agonist |
JKPL53 |
|
CCCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |
1450.0 |
|
3VN2 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.18 |
A |
partial agonist |
Telmisartan |
CHEMBL1017 |
CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C |
1506.0 |
|
3VSO |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
agonist |
mekt21 |
|
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)-c1ncccn1 |
1334.0 |
|
3X1H |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A |
covalent binding |
5-oxo-tricosahexaenoic acid |
|
CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCCC(O)=O |
|
|
3X1I |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
A |
covalent binding |
6-oxo-tetracosahexaenoic acid |
|
CC\C=C/C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCCCC(O)=O |
|
|
4A4V |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
partial agonist |
Amorfrutin 2 |
|
CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O |
1337.0 |
|
4A4W |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
partial agonist |
amorfrutin B |
|
COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1C\C=C(/C)CCC=C(C)C |
1446.0 |
|
4CI5 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.77 |
A |
agonist |
GL479 |
|
CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(O)=O |
1473.0 |
|
4E4K |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.50 |
A |
agonist |
JO21 |
|
CC(C)c1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |
1458.0 |
|
4E4Q |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.50 |
A |
agonist |
FS214 |
|
CC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(O)=O)cc1 |
1458.0 |
|
4EM9 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
B |
partial agonist |
NA |
|
OC(=O)CCP(CCC(O)=O)CCC(O)=O |
|
|
4EMA |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.54 |
A |
agonist |
rosiglitazone |
CHEMBL121 |
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 |
1375.0 |
|
4F9M |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.90 |
A |
modulator |
(9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide |
|
CCc1cc(F)c2ccccc2c1CNC(=O)c1c2OC3=CC(O)=C(C(C)=O)C(=O)[C@@]3(C)c2c(O)cc1OC |
1457.0 |
|
4FGY |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.84 |
A |
modulator |
Ionomycin |
|
C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O |
1512.0 |
|
4HEE |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.50 |
X |
NA |
5-benzyl-2-ethyl-3-{(1S)-5-[2-(1H-tetrazol- 5-yl)phenyl]-2,3-dihydro-1H-inden-1-yl}-3,5- dihydro-4H-imidazo[4,5-c]pyridin-4-one |
|
CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |
1513.0 |
|
4JAZ |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.85 |
A |
agonist |
RESVERATROL |
CHEMBL165 |
Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 |
1446.0 |
|
4PRG |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.90 |
A |
partial agonist |
ZINC14113867 |
CHEMBL1229529 |
CCCCCCC[C@@H]1S[C@@H](CC(=O)N(Cc2ccccc2)Cc2ccccc2)C(=O)N1CCCCc1ccc(cc1)C(O)=O |
1519.0 |
|
4PVU |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.60 |
A |
apo |
|
|
|
|
|
4PWL |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.60 |
A |
partial agonist |
Metaglidasen (S enantiomer) |
|
OC(=O)[C@@H](Oc1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1 |
1446.0 |
|
4R06 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.22 |
A |
partial agonist |
SR2067 |
|
CC[C@H](NC(=O)c1ccc2n(ccc2c1)S(=O)(=O)c1cccc2ccccc12)c1ccccc1 |
1522.0 |
|
4R2U |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.30 |
A, D |
antagonist |
SR1664 |
|
C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1ccc(cc1)[N+]([O-])=O |
1344.0 |
|
4XLD |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.45 |
A |
agonist |
rosiglitazone |
CHEMBL121 |
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1 |
1375.0 |
|
4XTA |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.50 |
A, B |
partial agonist |
DICLOFENAC |
CHEMBL139 |
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
1328.0 |
|
4XUH |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.22 |
A, B |
partial agonist |
Sulindac sulfide |
|
CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |
1533.0 |
|
4XUM |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.40 |
A, B |
partial agonist |
indomethacin |
CHEMBL6 |
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 |
1453.0 |
|
4Y29 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.98 |
A |
modulator |
chelerythrine |
|
COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC |
1534.0 |
|
4YT1 |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.20 |
B |
partial agonist |
MEKT76 |
|
CCCOc1ccc(cc1CNC(=O)c1ccc(cc1)-c1ncccn1)C(=O)NS(=O)(=O)Cc1ccccc1 |
1537.0 |
|
5AZV |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.70 |
A, B |
covalent agonist |
17-oxoDHA |
|
CC\C=C/CC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O |
|
|
5F9B |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.25 |
B |
partial agonist |
caulophyllogenin |
CHEMBL2386968 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |
1549.0 |
|
5GTN |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.85 |
A |
agonist |
R35 |
|
CC[C@@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(no1)-c1ccc(OC(C)(C)C(O)=O)cc1 |
1551.0 |
|
5GTO |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.10 |
A |
partial agonist |
S35 |
|
CC[C@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(no1)-c1ccc(OC(C)(C)C(O)=O)cc1 |
1551.0 |
|
5HZC |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
partial agonist |
AL26-29 |
|
CC(C)(Oc1ccc(cc1)-c1cccc2ccccc12)C(O)=O |
1429.0 |
|
5LSG |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.00 |
A |
antagonist |
betulinic acid |
|
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C[C@H](O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]12)C(O)=O |
1562.0 |
|
5TWO |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
1.93 |
A |
partial agonist |
VSP-51 |
|
Fc1cc(c(F)cc1Br)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1 |
1468.0 |
|
5U5L |
P37231 |
(PPARG_HUMAN) |
PPARG |
X-ray |
2.55 |
A |
agonist |
Rivoglitazone |
CHEMBL2104753 |
COc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)n(C)c2c1 |
1571.0 |
|
1A28 |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.80 |
A |
agonist |
progesterone |
CHEMBL103 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
1368.0 |
|
1E3K |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.80 |
A |
agonist |
metribolone |
CHEMBL166444 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |
1368.0 |
|
1SQN |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.45 |
A |
agonist |
norethisterone |
CHEMBL1162 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |
1368.0 |
|
1SR7 |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.46 |
A |
agonist |
Mometasone furoate |
CHEMBL1161 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl |
1401.0 |
|
1ZUC |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.00 |
A, B |
agonist |
tanaproget |
CHEMBL539163 |
Cn1c(ccc1-c1ccc2NC(=S)OC(C)(C)c2c1)C#N |
1413.0 |
|
2OVH |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.00 |
A |
antagonist |
asoprinil |
|
COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(\C=N\O)cc1)OC |
1388.0 |
|
2OVM |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.60 |
A |
antagonist |
asoprinil |
|
COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(\C=N\O)cc1)OC |
1388.0 |
|
2W8Y |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.80 |
A |
agonist |
mifepristone |
CHEMBL1276308 |
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |
1388.0 |
|
3D90 |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.26 |
A |
agonist |
levonorgestrel |
CHEMBL1389 |
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |
1368.0 |
|
3G8O |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.90 |
A |
partial agonist |
ZINC43020005 |
CHEMBL549725 |
C[C@H](N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C |
1337.0 |
|
3HQ5 |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.10 |
A |
partial agonist |
ZINC43066029 |
CHEMBL558664 |
CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |
1475.0 |
|
3KBA |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.00 |
A |
agonist |
ZINC44460291 |
CHEMBL601500 |
Cc1ccccc1CN([C@H]1CCN(C1)S(C)(=O)=O)c1ccc(C#N)c(Cl)c1 |
1475.0 |
|
3ZR7 |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.65 |
A |
partial agonist |
OrgA |
|
Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)nn(C)c2Cl)cc1 |
1336.0 |
|
3ZRA |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.90 |
A |
antagonist |
OrgB |
|
C[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(cc1)-c1cc(F)cnc1Cl |
1508.0 |
|
3ZRB |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.80 |
B |
antagonist |
OrgC |
|
C[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(cc1)-c1c(C)noc1C |
1336.0 |
|
4A2J |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.00 |
A |
partial agonist |
4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)- 3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME |
|
COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(\C=N\O)cc1)OC |
1388.0 |
|
4APU |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
1.90 |
B |
modulator |
Org3H |
|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@@H](C=C)[C@@H]2C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |
1509.0 |
|
4OAR |
P06401 |
(PRGR_HUMAN) |
PR |
X-ray |
2.41 |
A |
antagonist |
ulipristal acetate |
|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |
1388.0 |
|
1ILG |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.52 |
A |
apo |
|
|
|
|
|
1ILH |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.76 |
A |
agonist |
SR12813 |
CHEMBL458767 |
CCOP(=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC |
1337.0 |
|
1M13 |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.15 |
A |
agonist |
hyperforin |
|
CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O |
1384.0 |
|
1NRL |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.00 |
A |
agonist |
SR12813 |
CHEMBL458767 |
CCOP(=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC |
1337.0 |
|
1SKX |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.80 |
A |
agonist |
rifampicin |
CHEMBL374478 |
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |
1400.0 |
|
2QNV |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.80 |
A |
agonist |
colupulone |
|
CC(C)C(=O)C1=C(O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O |
1440.0 |
|
3CTB |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.00 |
A |
apo |
|
|
|
|
|
3HVL |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.10 |
A |
agonist |
SR12813 |
CHEMBL458767 |
CCOP(=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC |
1337.0 |
|
3R8D |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.80 |
A |
agonist |
PNU-142721 |
CHEMBL280541 |
C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1 |
1496.0 |
|
4J5W |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.80 |
C |
apo |
|
|
|
|
|
4J5X |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.80 |
A, B |
agonist |
SR12813 |
CHEMBL458767 |
CCOP(=O)(OCC)C(=Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC |
1337.0 |
|
4NY9 |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.80 |
A |
antagonist |
BMS-817399 |
|
CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |
1494.0 |
|
4S0S |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.80 |
A |
apo |
|
|
|
|
|
4S0T |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
3.14 |
A, B |
antagonist |
Compound1 |
|
CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |
1526.0 |
|
4X1F |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.00 |
A |
weak agonist |
Ethinyl estradiol |
CHEMBL691 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |
1345.0 |
|
4X1G |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.25 |
A |
synergistic agonist |
Ethinyl estradiol |
CHEMBL691 |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |
1345.0 |
|
4X1G |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.25 |
A |
synergistic agonist |
Trans-nonachlor |
|
Cl[C@H]1[C@H](Cl)[C@@H]2[C@H]([C@@H]1Cl)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl |
1531.0 |
|
4XHD |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.40 |
A |
antagonist |
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-3,3-dimethyl-4-oxidanyl-piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-cyclopropyl-ethanamide |
|
CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |
1526.0 |
|
5A86 |
O75469 |
(NR1I2_HUMAN) |
PXR |
X-ray |
2.25 |
A, B |
antagonist |
4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide |
|
CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 |
1541.0 |
|
3A9E |
P10276 |
(RARA_HUMAN) |
RARA |
X-ray |
2.75 |
B |
agonist |
RETINOIC acid |
CHEMBL38 |
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |
1337.0 |
|
3KMR |
P10276 |
(RARA_HUMAN) |
RARA |
X-ray |
1.80 |
A |
agonist |
Am580 |
CHEMBL69367 |
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O |
1482.0 |
|
3KMZ |
P10276 |
(RARA_HUMAN) |
RARA |
X-ray |
2.10 |
A, B |
inverse agonist |
BMS493 |
CHEMBL472172 |
CC1(C)CC=C(C#Cc2ccccc2)c2cc(\C=C\c3ccc(cc3)C(O)=O)ccc12 |
1483.0 |
|
4DQM |
P10276 |
(RARA_HUMAN) |
RARA |
X-ray |
2.75 |
A, C |
agonist |
Luffariellolide |
CHEMBL451037 |
C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)O[C@@H]1O |
1511.0 |
|
5K13 |
P10276 |
(RARA_HUMAN) |
RARA |
X-ray |
1.85 |
A |
antagonist |
4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid |
acid |
CC(C)(C)c1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)-c1ccc(cc1)C(O)=O |
1557.0 |
|
1XAP |
P10826 |
(RARB_HUMAN) |
RARB |
X-ray |
2.10 |
A |
agonist |
TTNPB |
CHEMBL275311 |
C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C |
1406.0 |
|
4DM6 |
P10826 |
(RARB_HUMAN) |
RARB |
X-ray |
1.90 |
A, B |
agonist |
TTNPB |
CHEMBL275311 |
C\C(=C/c1ccc(cc1)C(O)=O)c1ccc2c(c1)C(C)(C)CCC2(C)C |
1406.0 |
|
4DM8 |
P10826 |
(RARB_HUMAN) |
RARB |
X-ray |
2.30 |
A, B |
agonist |
9cis retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
1EXA |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
1.59 |
A |
agonist |
BMS-270394 |
|
CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O |
1371.0 |
|
1EXX |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
1.67 |
A |
agonist |
BMS961 |
|
CC1(C)CCC(C)(C)c2cc(ccc12)[C@H](O)C(=O)Nc1ccc(cc1F)C(O)=O |
1371.0 |
|
1FCX |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
1.47 |
A |
agonist |
BMS184394 |
CHEMBL81273 |
CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)c1ccc2cc(ccc2c1)C(O)=O |
1372.0 |
|
1FCY |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
1.30 |
A |
agonist |
CD564 |
CHEMBL309282 |
CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O |
1373.0 |
|
1FCZ |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
1.38 |
A |
agonist |
BMS181156 |
CHEMBL95700 |
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)\C=C\c1ccc(cc1)C(O)=O |
1374.0 |
|
1FD0 |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
1.38 |
A |
agonist |
SR11254 |
CHEMBL77961 |
CC1(C)CCC(C)(C)c2cc(ccc12)C(=N\O)\c1ccc2cc(ccc2c1)C(O)=O |
1373.0 |
|
2LBD |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
2.06 |
A |
agonist |
All-trans-retinoic acid |
CHEMBL38 |
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |
1337.0 |
|
3LBD |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
2.40 |
A |
agonist |
(9cis)-retinoic acid |
CHEMBL705 |
C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |
1337.0 |
|
4LBD |
P13631 |
(RARG_HUMAN) |
RARG |
X-ray |
2.50 |
A |
agonist |
BMS961 |
|
CC1(C)CCC(C)(C)c2cc(ccc12)[C@H](O)C(=O)Nc1ccc(cc1F)C(O)=O |
1371.0 |
|
1N83 |
P35398 |
(RORA_HUMAN) |
RORA |
X-ray |
1.63 |
A |
agonist |
cholesterol |
CHEMBL112570 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
1345.0 |
|
1S0X |
P35398 |
(RORA_HUMAN) |
RORA |
X-ray |
2.20 |
A |
agonist |
cholesterol sulfate |
CHEMBL1231592 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O |
1345.0 |
|
4S15 |
P35398 |
(RORA_HUMAN) |
RORA |
X-ray |
1.90 |
A, B |
NA |
4ACD8 |
|
C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C(O)=O |
1345.0 |
|
3B0W |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.20 |
A |
antagonist |
digoxin |
CHEMBL1751 |
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |
1456.0 |
|
3KYT |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.35 |
A |
agonist |
20-hydroxycholesterol |
CHEMBL1233249 |
CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
1345.0 |
|
3L0J |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.40 |
A |
agonist |
(3alpha,8alpha,22R)-cholest-5-ene-3,22-diol |
|
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
1345.0 |
|
3L0L |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.74 |
A, B |
agonist |
(3BETA)-CHOLEST-5-ENE-3,25-DIOL |
CHEMBL169046 |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
1345.0 |
|
4NB6 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.85 |
A, B |
inverse agonist |
T0901317 |
CHEMBL62136 |
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F |
1346.0 |
|
4NIE |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.01 |
A |
agonist |
N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide |
|
CCCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1 |
1518.0 |
|
4QM0 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.20 |
A, C |
inverse agonist |
N-(2-methylpropyl)-N-[[5-(4-methylsulfonylphenyl)thiophen-2-yl]methyl]-1-phenyl-methanesulfonamide |
|
CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1 |
1521.0 |
|
4S14 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
3.54 |
A |
agonist |
4ACD8 |
|
C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)([C@@H]1CC3)C(O)=O |
1345.0 |
|
4WLB |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.70 |
A, B |
inverse agonist |
N-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-6-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-sulfonamide |
|
CC(C)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)nc1 |
1527.0 |
|
4WPF |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.20 |
A, D |
agonist |
N-[4-(4-acetylpiperazin-1-yl)-2-fluorobenzyl]-N-cyclobutylbenzenesulfonamide |
|
CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2ccccc2)c(F)c1 |
1528.0 |
|
4WQP |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.99 |
A, B |
inverse agonist |
N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide |
|
CC(C)CN(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1 |
1529.0 |
|
4XT9 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.25 |
A |
partial agonist |
GSK2435341A |
|
CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)-c2ccccc2)-c2cc(Cl)ccc2Cl)cc1 |
1532.0 |
|
4YMQ |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.00 |
A |
inverse agonist |
4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan- 2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol- 1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N- methylbutanamide |
|
C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)S1(=O)=O |
1535.0 |
|
4YPQ |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.32 |
A |
antagonist |
MRL871 |
|
OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12 |
1536.0 |
|
4ZJR |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.70 |
A, B, C, D |
inverse agonist |
6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide |
|
CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O |
1538.0 |
|
4ZJW |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.50 |
A |
inverse agonist |
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide |
|
CNC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl |
1539.0 |
|
4ZOM |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.27 |
A, B, C, D |
inverse agonist |
N-[4-(5-acetamido-2-propan-2-yl-pyrazol-3-yl)-2-[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-2-chloranyl-6-fluoranyl-N-methyl-benzamide |
|
CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1C[C@@H]2C[C@@H]2C1 |
1540.0 |
|
5APH |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.54 |
A |
inverse agonist |
N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE |
|
Fc1ccc(cc1)S(=O)(=O)N1CCOc2cccc(Nc3ccccc3F)c2C1 |
1542.0 |
|
5APJ |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.08 |
A |
agonist |
2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE |
|
Fc1cccc(Cl)c1C(=O)Nc1ccc2OCCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(F)(F)F |
1543.0 |
|
5APK |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.10 |
A, B |
inverse agonist |
N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE |
|
Fc1ccc(cc1)S(=O)(=O)N1CCOc2cccc(Nc3ccccc3F)c2C1 |
1542.0 |
|
5AYG |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.60 |
A, B |
antagonist |
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide |
|
CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1cccc2ccccc12 |
1545.0 |
|
5C4O |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.24 |
A |
antagonist |
MRL871 |
|
OC(=O)c1ccc(cc1)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12 |
1536.0 |
|
5C4S |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.23 |
A |
antagonist |
MRL367 |
|
OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)c(F)c1 |
1536.0 |
|
5C4T |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.77 |
A |
antagonist |
MRL673 |
|
C[C@@]1(CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12)C(O)=O |
1536.0 |
|
5C4U |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.08 |
A |
antagonist |
MRL299 |
|
OC(=O)c1cc(F)c(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |
1536.0 |
|
5EJV |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.58 |
A, B |
inverse agonist |
T090131718 |
CHEMBL62136 |
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F |
1346.0 |
|
5ETH |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.80 |
A, B |
inverse agonist |
1-methyl-~{N}-(1-thiophen-2-ylcarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)-~{N}-[2,2,2-tris(fluoranyl)ethyl]indole-4-sulfonamide |
|
Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1cccs1 |
1548.0 |
|
5G42 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.72 |
A |
NA |
CT6 |
|
NC(=O)N1CCc2cc(Cl)ccc12 |
1454.0 |
|
5G43 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.58 |
A |
NA |
CT16 |
|
Nc1csc(n1)N1CCCCC1 |
1448.0 |
|
5G44 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.84 |
A |
NA |
CT23, CT23-1, CT23-2 |
|
Nc1ccc(cc1)S(=O)(=O)Nc1nccs1, COc1ccc(O)c2nc(C)c(C)nc12, OCc1ccc(cc1)-c1cncnc1 |
1550.0, 1488.0, 1494.0 |
|
5G45 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.07 |
A |
NA |
CT24 |
|
Nc1cccc2cc(O)cnc12 |
1488.0 |
|
5G46 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.76 |
A |
NA |
CT49 |
|
CCc1cc(O)c2ccccc2n1 |
1488.0 |
|
5IXK |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.35 |
A, B |
inverse agonist |
BIO399 |
|
CCN1c2ccc(cc2OCC(C)(C)C1=O)N(CC(F)(F)F)S(=O)(=O)c1ccc(C)c(C)c1 |
1555.0 |
|
5IZ0 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.63 |
A, B, D, G |
agonist |
BIO592 |
|
CCN1C(=O)COc2cc(ccc12)N(CC(F)(F)F)S(=O)(=O)c1ccc(C)c(C)c1 |
1556.0 |
|
5K38 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.05 |
A |
apo |
|
|
|
|
|
5LWP |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.40 |
A |
inverse agonist |
4-[3-[2-chloranyl-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid |
|
CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O |
1489.0 |
|
5UFO |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.80 |
A |
agonist |
(S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol |
|
COc1nc2ccc(cc2c(Cl)c1-c1ccc(cc1)S(C)(=O)=O)[C@@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F |
1572.0 |
|
5UFR |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.07 |
A, B |
inverse agonist |
(S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol |
|
CN(C)c1nc2ccc(cc2c(Cl)c1-c1ccccc1)[C@@](O)(c1cncn1C)c1ccncc1 |
1572.0 |
|
5UHI |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
3.20 |
A, B |
inverse agonist |
(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol |
|
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)[C@@](O)(c1cncn1C)c1ccc(Cl)cc1 |
1573.0 |
|
5VB3 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
1.95 |
A |
apo |
|
|
|
|
|
5VB5 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.23 |
A |
inverse agonist |
N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide |
|
CC(C)CCC(=O)N[C@H](Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1)C(=O)N1CCC(C)CC1 |
1575.0 |
|
5VB6 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.04 |
A |
inverse agonist |
N-{3-[(3-methylbut-2-en-1-yl){methyl[trans-4-(pyridin-4-yl)cyclohexyl]carbamoyl}amino]phenyl}benzamide |
|
CN([C@H]1CC[C@@H](CC1)c1ccncc1)C(=O)N(CC=C(C)C)c1cccc(NC(=O)c2ccccc2)c1 |
1576.0 |
|
5VB7 |
P51449 |
(RORG_HUMAN) |
RORG |
X-ray |
2.33 |
A |
NA |
N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea |
|
CN([C@H]1CC[C@@H](CC1)c1ccncc1)C(=O)N(CC=C(C)C)c1cccc(Oc2ccccc2)c1 |
1577.0 |
|
3 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
3.10 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
3E+094 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
1.90 |
A |
agonist |
tributylstannanyl |
|
CCCC[SnH](CCCC)CCCC |
|
|
1FBY |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.25 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
1FM6 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.10 |
A, U |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
1FM9 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.10 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
1G1U |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.50 |
A |
apo |
|
|
|
|
|
1G5Y |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.00 |
B, C |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
1K74 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.30 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
1LBD |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.70 |
A |
apo |
|
|
|
|
|
1MV9 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
1.90 |
A |
agonist |
docosahexaenoic acid |
CHEMBL367149 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O |
|
|
1MVC |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
1.90 |
A |
agonist |
BMS649 |
|
CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C([O-])=O |
1385.0 |
|
1MZN |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
1.90 |
A, C, E, G |
agonist |
docosahexaenoic acid |
CHEMBL367149 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O |
|
|
1RDT |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.40 |
A |
agonist |
ZINC58638869 |
CHEMBL1233941 |
CC1(C)CCC(C)(C)c2cc(ccc12)C1=CC=C[C@@H]2O[C@@H](C[C@H]12)\C=C\C(O)=O |
1397.0 |
|
1XLS |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.96 |
A, B, C, D |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
1XV9 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.70 |
A, C |
agonist |
5beta-pregna-3,20-dione |
CHEMBL486954 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
1368.0 |
|
1XVP |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.60 |
A, C |
agonist |
ZINC06072466 |
CHEMBL82293 |
CCCCCCCCCCCCCCCC(=O)[O-] |
|
|
2ACL |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.80 |
A, C, E, G |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
2P1T |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
1.80 |
A |
modulator |
UVI3007 |
|
COc1cc2c(cc1-c1cc(\C=C\C(O)=O)ccc1O)C(C)(C)CCC2(C)C |
1410.0 |
|
2P1U |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.20 |
A |
modulator |
UVI3004 |
|
CCOc1cc2c(cc1-c1cc(\C=C\C(O)=O)ccc1O)C(C)(C)CCC2(C)C |
1410.0 |
|
2P1V |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.20 |
A |
modulator |
UVI3002 |
|
CCCOc1cc2c(cc1-c1cc(\C=C\C(O)=O)ccc1O)C(C)(C)CCC2(C)C |
1410.0 |
|
2ZXZ |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
3.00 |
A |
agonist |
ZINC39035256 |
CHEMBL1235076 |
CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C |
1452.0 |
|
2ZY0 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.90 |
A, C |
agonist |
SR11237 |
|
C[Si]1(C)C[Si](C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(cc1)C(O)=O |
1452.0 |
|
3DZU |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
3.20 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
3DZY |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
3.10 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
3FAL |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.36 |
A, C |
agonist |
RETINOIC acid |
CHEMBL38 |
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |
1337.0 |
|
3FC6 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.06 |
A, C |
agonist |
RETINOIC acid |
CHEMBL38 |
C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |
1337.0 |
|
3FUG |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.00 |
A |
agonist |
ZINC39257798 |
CHEMBL491294 |
Cc1cc2c(cc1-c1cc(\C=C\C(O)=O)ccc1O)C(C)(C)CCC2(C)C |
1410.0 |
|
3H0A |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.10 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
3KWY |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.30 |
A |
agonist |
TPT |
|
c1ccc(cc1)[SnH](c1ccccc1)c1ccccc1 |
1484.0 |
|
3NSP |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.90 |
A |
apo |
|
|
|
|
|
3NSQ |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.60 |
B |
antagonist |
danthron |
CHEMBL53418 |
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12 |
1487.0 |
|
3OAP |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.05 |
A |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
3OZJ |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.10 |
A, C |
agonist |
bigelovin |
CHEMBL486997 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O |
1491.0 |
|
3PCU |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.00 |
A |
agonist |
(+)-Rutamarin |
CHEMBL3577084 |
CC(=O)OC(C)(C)[C@@H]1Cc2cc3cc(c(=O)oc3cc2O1)C(C)(C)C=C |
1492.0 |
|
3R29 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.90 |
A |
apo |
|
|
|
|
|
3R2A |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
3.00 |
A, C |
antagonist |
rhein |
CHEMBL418068 |
OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |
1487.0 |
|
3R5M |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.80 |
A, C |
agonist |
magnolol |
CHEMBL180920 |
Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O |
1494.0 |
|
3UVV |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.95 |
B |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
4J5W |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.80 |
A |
apo |
|
|
|
|
|
4K4J |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.00 |
A |
agonist |
9cUAB30 |
|
C/C(/C=C/C=C(/C)\C=C1/CCCc2ccccc12)=C\C(O)=O |
1515.0 |
|
4K6I |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.10 |
A |
agonist |
Targretin |
CHEMBL1023 |
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C |
1516.0 |
|
4M8E |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.40 |
A |
agonist |
(S)4-METHYL 9cUAB30 |
|
C[C@H]1CC\C(=C/C(/C)=C\C\C=C(/C)CC(O)=O)c2ccccc12 |
1515.0 |
|
4M8H |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.20 |
A |
agonist |
(R)4-METHYL 9cUAB30 |
|
C[C@@H]1CC\C(=C/C(/C)=C\CC\C(C)=C\C(O)=O)c2ccccc12 |
1515.0 |
|
4N5G |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.11 |
A, D |
modulator |
K8012 |
|
CC(C)c1ccc(\C=C2\C(C)=C(CCc3nnn[nH]3)c3cc(F)ccc23)cc1 |
1517.0 |
|
4N8R |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.03 |
A, D |
modulator |
K-8008 |
|
CC(C)c1ccc(\C=C2\C(C)=C(CCc3nnn[nH]3)c3ccccc23)cc1 |
1517.0 |
|
4NQA |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
3.10 |
A, H |
agonist |
9-cis-retinoic acid |
CHEMBL705 |
C\C(=C\C=C\C(=C\C(=O)O)\C)\C=C\C1=C(C)CCCC1(C)C |
1337.0 |
|
4OC7 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.50 |
A |
agonist |
(E)-3-[4-oxidanyl-3-(3-prop-2-enylphenyl)phenyl]prop-2-enoic acid |
|
OC(=O)\C=C\c1ccc(O)c(c1)-c1cccc(CC=C)c1 |
1494.0 |
|
4POH |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.30 |
A |
agonist |
8-methyl UAB30 |
|
C/C(/C=C/C=C(/C)\C=C1/CCCc2cccc(C)c12)=C\C(O)=O |
1515.0 |
|
4POJ |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.00 |
A |
agonist |
7-methyl UAB30 |
|
C/C(/C=C/C=C(/C)\C=C1/CCCc2ccc(C)cc12)=C\C(O)=O |
1515.0 |
|
4PP3 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.00 |
A |
agonist |
6-methyl UAB30 |
|
C/C(/C=C/C=C(/C)\C=C1/CCCc2cc(C)ccc12)=C\C(O)=O |
1515.0 |
|
4PP5 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.00 |
A |
agonist |
5-methyl UAB30 |
|
C/C(/C=C/C=C(/C)\C=C1/CCCc2c(C)cccc12)=C\C(O)=O |
1515.0 |
|
4RFW |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.40 |
A |
agonist |
9cUAB70 |
|
C/C(/C=C/C=C(/C)\C=C1/CCCCc2ccccc12)=C\C(O)=O |
1524.0 |
|
4RMC |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.70 |
A |
agonist |
9cUAB76 |
|
CCC1=C(CCC(C)C)\C(CCC1)=C\[C@@H](C)CCC[C@H](C)CC(O)=O |
1440.0 |
|
4RMD |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
1.90 |
A |
agonist |
9cUAB110 |
|
CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C1CC1 |
1525.0 |
|
4RME |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.30 |
A |
agonist |
9cUAB111 |
|
CC(C)CCC1=C(CCC\C1=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)C(C)C |
1440.0 |
|
4ZSH |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
1.80 |
A |
agonist |
9-cis-13,14-dihydroretinoic acid |
|
C[C@H](CCC[C@@H](C)CC(O)=O)CC[C@H]1[C@@H](C)CC=CC1(C)C |
1337.0 |
|
5EC9 |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.30 |
A |
agonist |
4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca- 1(10),2,8-trien-11-yl]benzoic acid |
|
CC1(C)CCC(C)(C)c2cc3c(O[C@@H]4CCC[C@]34c3ccc(cc3)C(O)=O)cc12 |
1547.0 |
|
5LYQ |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.17 |
A |
agonist |
(2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid |
|
CC1(C)CCC(C)(C)c2cc3O[C@@]4(CCc5cc(ccc5O4)C(O)=O)CCc3cc12 |
1563.0 |
|
5TBP |
P19793 |
(RXRA_HUMAN) |
RXRA |
X-ray |
2.60 |
A, B, D |
modulator |
K8003 |
|
CC(C)c1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1 |
1533.0 |
|
1H9U |
P28702 |
(RXRB_HUMAN) |
RXRB |
X-ray |
2.70 |
A |
agonist |
LG100268 |
CHEMBL288436 |
Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C |
1379.0 |
|
1UHL |
P28702 |
(RXRB_HUMAN) |
RXRB |
X-ray |
2.90 |
A |
agonist |
methoprenic acid |
|
COC(C)(C)CCC[C@H](C)C\C=C\C(\C)=C\C(O)=O |
|
|
1YOW |
Q13285 |
(STF1_HUMAN) |
SF-1 |
X-ray |
3.00 |
A |
agonist |
phosphatidyl ethanol |
ZINC44460251 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OCCO)OC(=O)CCCCCCC\C=C/CCCCCC |
|
|
1NAV |
P10827 |
(THA_HUMAN) |
TRA |
X-ray |
2.50 |
A |
agonist |
KB-141 |
CHEMBL41036 |
CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O |
1328.0 |
|
3HZF |
P10827 |
(THA_HUMAN) |
TRA |
X-ray |
2.50 |
A |
agonist |
GC-1 |
CHEMBL107400 |
CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O |
1328.0 |
|
3ILZ |
P10827 |
(THA_HUMAN) |
TRA |
X-ray |
1.85 |
A |
agonist |
GC-1 |
CHEMBL107400 |
CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O |
1328.0 |
|
3JZB |
P10827 |
(THA_HUMAN) |
TRA |
X-ray |
2.01 |
A |
agonist |
3.3'.5-triiodothyroacetic acid |
CHEMBL41632 |
OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 |
1328.0 |
|
1BSX |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
3.70 |
A |
agonist |
3.5.3'-triodo-L-thyronine (T3) |
CHEMBL1544 |
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |
1328.0 |
|
1N46 |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.20 |
A |
agonist |
ZINC02047672 |
CHEMBL125381 |
CC(C)c1cc(Oc2c(C)cc(cc2C)-n2ncc(=O)[nH]c2=O)ccc1O |
1386.0 |
|
1NAX |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.70 |
A |
agonist |
KB-141 |
CHEMBL41036 |
CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O |
1328.0 |
|
1NQ2 |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.40 |
A |
NA |
Tiratricol |
CHEMBL41632 |
OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 |
1328.0 |
|
1NUO |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
3.10 |
A |
NA |
Tiratricol |
CHEMBL41632 |
OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 |
1328.0 |
|
1Q4X |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.80 |
A |
agonist |
GC-24 |
CHEMBL1232899 |
Cc1cc(OCC(O)=O)cc(C)c1Cc1ccc(O)c(Cc2ccccc2)c1 |
1393.0 |
|
1R6G |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
3.00 |
A |
agonist |
ZINC14880229 |
ZINC14880229 |
OC(O)Cc1cc(Br)c(Oc2ccc(O)c(c2)[C@@H](O)NCCc2ccccc2)c(Br)c1 |
1396.0 |
|
1XZX |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.50 |
X |
agonist |
3.5.3'-triodo-L-thyronine (T3) |
CHEMBL1544 |
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |
1328.0 |
|
1Y0X |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
3.10 |
X |
agonist |
L-thyroxine (T4) |
CHEMBL1624 |
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |
1328.0 |
|
3GWS |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.20 |
X |
agonist |
Liothyronine |
CHEMBL1544 |
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |
1328.0 |
|
3IMY |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.55 |
A |
agonist |
GC-1 |
CHEMBL107400 |
CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O |
1328.0 |
|
3JZC |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
2.50 |
A |
agonist |
3.3'.5-triiodothyroacetic acid |
CHEMBL41632 |
OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1 |
1328.0 |
|
4ZO1 |
P10828 |
(THB_HUMAN) |
TRB |
X-ray |
3.22 |
X |
agonist |
THYROID HORMONEHORMONE |
CHEMBL1544 |
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |
1328.0 |
|
1DB1 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.80 |
A |
agonist |
1,25-dihydroxyvitamin D3 |
CHEMBL846 |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
1332.0 |
|
1IE8 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.52 |
A |
agonist |
KH1060 |
CHEMBL432600 |
CCC(O)(CC)CCCO[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
1332.0 |
|
1IE9 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.40 |
A |
agonist |
1,25-dihydroxyvitamin D3 |
CHEMBL846 |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
1332.0 |
|
1S0Z |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.50 |
A |
agonist |
seocalcitol |
CHEMBL1908376 |
CCC(O)(CC)\C=C\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
1332.0 |
|
1S19 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.10 |
A |
agonist |
calcipotriol |
CHEMBL1200666 |
C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
1398.0 |
|
1TXI |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.90 |
A |
agonist |
TX522 |
CHEMBL1236453 |
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@@H]2\C(CCC[C@]12C)=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |
1332.0 |
|
2HAM |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.90 |
A |
agonist |
2alpha-propyl-1alpha,25-dihydroxyvitamin D3 |
|
CCC[C@H]1[C@H](O)C\C(=C\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)(C)O)C(=C)[C@H]1O |
1332.0 |
|
2HAR |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.90 |
A |
agonist |
2alpha-(3-hydroxyproxy)-1alpha,25-dihydroxyvitamin D3 |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C |
1332.0 |
|
2HAS |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.96 |
A |
agonist |
2alpha-prpoxy-1alpha,25-dihydroxyvitamin D3 |
|
CCC[C@H]1[C@H](O)C\C(=C\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)(C)O)C(=C)[C@H]1O |
1332.0 |
|
2HB7 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.80 |
A |
agonist |
2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin D3 |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C |
1332.0 |
|
2HB8 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.00 |
A |
agonist |
2alpha-methyl-1alpha,25-dihydroxy-vitamin D3 |
|
CCC[C@H]1[C@H](O)C\C(=C\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)(C)O)C(=C)[C@H]1O |
1332.0 |
|
3A78 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.90 |
A |
agonist |
1alpha,25-dihydroxy-3-epi-vitamin D3 |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C[C@H](O)C1=C |
1332.0 |
|
3AUQ |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.64 |
A |
NA |
14-epi-2alpha-methyl-19-norvitamin D3 |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2C(=CCC[C@]12C)C#CC1=C[C@@H](O)[C@@H](C)[C@H](O)C1 |
1335.0 |
|
3AUR |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.21 |
A |
NA |
14-epi-2beta-methyl-19-norvitamin D3 |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2C(=CCC[C@]12C)C#CC1=C[C@@H](O)[C@@H](C)[C@H](O)C1 |
1335.0 |
|
3AX8 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.60 |
A |
NA |
15alpha-methoxy-1alpha,25-dihydroxyvitamin D3 |
|
CO[C@H]1C[C@H]([C@H](C)CCCC(C)(C)O)[C@@]2(C)CCC\C(=C/C=C3/C[C@@H](O)C[C@H](O)C3=C)[C@H]12 |
1332.0 |
|
3AZ1 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.50 |
A |
weak agonist |
{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetic acid |
|
CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OCC(O)=O)c(C)c1 |
1328.0 |
|
3AZ2 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.69 |
A |
weak agonist |
5-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)pentan-3-yl]-2-methylphenoxy}pentanoic acid |
|
CCC(CC)(c1ccc(OCCCCC(O)=O)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |
1328.0 |
|
3AZ3 |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.36 |
A |
weak agonist |
(4S)-4-hydroxy-5-[4-(3-{4-[(3S)-3-hydroxy- 4,4-dimethylpentyl]-3-methylphenyl}pentan- 3-yl)-2-methylphenoxy]pentanoic acid |
|
CCC(CC)(c1ccc(CC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H](O)CCC(O)=O)c(C)c1 |
1328.0 |
|
3P8X |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
1.70 |
A |
NA |
2a |
|
CC(C)(O)CCCCCC[C@@]12CCC[C@H]1\C(CCC2)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
1332.0 |
|
3VHW |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.43 |
A |
NA |
4-MP |
|
CC[C@@]1(CC\C(=C/[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)C1=O)C(=O)OC |
1504.0 |
|
3WWR |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
3.18 |
A |
agonist |
3AJ |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCC2(CC2)C#N)[C@H](O)C1=C |
1507.0 |
|
4ITE |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.49 |
A |
agonist |
1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3 |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ncnn2)[C@H](O)C1=C |
1514.0 |
|
4ITF |
P11473 |
(VDR_HUMAN) |
VDR |
X-ray |
2.84 |
A |
NA |
1alpha,25-Dihydroxy-2alpha-[2-(1H-tetrazole-1-yl)ethyl]vitamin D3 |
|
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2cnnn2)[C@H](O)C1=C |
1514.0 |
|