Nuclear Receptors DataBase Including Negative Data
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NR-DBIND
► Proteins | Ligands ◀
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The NR-DBIND contains 593 clean NR structures (no mutation). Custom your selection and download it : ▼

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