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P62942 | FKB1A_HUMAN | Peptidyl-prolyl cis-trans isomerase FKBP1A (FKBP1A)

3D structures mapped by conservation among orthologs

[ Domain: "FKBP-like" // FKBP_C ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4090599 OBDepict CH 3 O H N H N S O H O O Cl Cl N Ki = 0.45 nM 498.43 COC[C@H]1CN(Cc2ccccn2)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL33094 OBDepict H 3 C CH 3 CH 3 O N O H HN O Ki = 1.0 nM 358.48 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1ccccc1 Homo sapiens CHEMBL682211 single protein format
CHEMBL50795 OBDepict O O N O O H 3 C CH 3 H 3 C Ki = 2.0 nM 359.47 CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL300752 OBDepict O O N O O Ki = 3.0 nM 511.66 O=C(C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL423033 OBDepict O O N O O CH 3 H 3 C CH 3 N Ki = 3.0 nM 346.43 CC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cccnc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL150120 OBDepict H 3 C O O O CH 3 CH 3 O N O O O N Ki = 3.0 nM 588.7 COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OC(CCCc2ccccc2)CCc2cccnc2)cc(OC)c1OC Homo sapiens CHEMBL678143 single protein format
CHEMBL417192 OBDepict O O N O O H 3 C CH 3 H 3 C Ki = 5.0 nM 491.67 CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL118937 OBDepict CH 3 H 3 C CH 3 O N O H S O Ki = 6.0 nM 425.59 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1 Homo sapiens CHEMBL678145 single protein format
CHEMBL4101268 OBDepict H 2 C H N H N S O H O O Cl Cl N CH 3 CH 3 Ki = 7.0 nM 460.43 C=C[C@@H]1CN(CCN(C)C)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL4072643 OBDepict CH 2 H N H N S O H O O Cl Cl O OH Ki = 7.0 nM 447.34 C=C[C@H]1CN(CC(=O)O)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL4075704 OBDepict CH 2 H N H N S O H O O Cl Cl O NH 2 Ki = 7.0 nM 446.36 C=C[C@H]1CN(CC(N)=O)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL118884 OBDepict H 3 C CH 3 H 3 C O N O H S O Ki = 7.0 nM 451.63 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL678145 single protein format
CHEMBL4102121 OBDepict CH 3 N H N O H H N CH 2 H S O O Cl Cl Ki = 7.0 nM 446.4 C=C[C@H]1CN(CCNC)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL4067970 OBDepict H 3 C O O N O H H N CH 2 H S O O Cl Cl Ki = 7.0 nM 475.39 C=C[C@H]1CN(CC(=O)OCC)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL149192 OBDepict H 3 C H 3 C H 3 C O N O O O N Ki = 7.5 nM 360.45 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1cccnc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL6367 OBDepict H 3 C CH 3 CH 3 O N O H O O N Ki = 7.5 nM 360.45 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 Homo sapiens CHEMBL678145 single protein format
CHEMBL300040 OBDepict H 3 C H 3 C H 3 C O N O O O Ki = 8.3 nM 449.59 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL118858 OBDepict H 3 C CH 3 CH 3 O N O H S O N Ki = 8.7 nM 376.52 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1 Homo sapiens CHEMBL678145 single protein format
CHEMBL4063858 OBDepict H 3 C O O H 3 C O N O H H N CH 2 H S O O Cl Cl Ki = 8.8 nM 569.51 C=C[C@H]1CN(CCOc2ccc(OC)c(OC)c2)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL119571 OBDepict H 3 C CH 3 CH 3 O N O H S O O CH 3 Ki = 8.9 nM 405.56 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(OC)cc1 Homo sapiens CHEMBL678145 single protein format
CHEMBL148517 OBDepict O O N O O N Ki = 9.0 nM 372.47 O=C(C(=O)N1CCCC1C(=O)OCCCc1cccnc1)C1CCCCC1 Homo sapiens CHEMBL678143 single protein format
CHEMBL119228 OBDepict H 3 C CH 3 CH 3 O N O H S O Ki = 11.0 nM 375.53 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1 Homo sapiens CHEMBL678145 single protein format
CHEMBL4068304 OBDepict H 2 C H N H N S O H O O Cl Cl N F Ki = 11.8 nM 498.41 C=C[C@H]1CN(Cc2ncccc2F)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL33860 OBDepict H 3 C O O CH 3 O O N NH O Ki = 12.0 nM 484.64 COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 Homo sapiens CHEMBL682210 single protein format
CHEMBL342735 OBDepict CH 3 CH 3 CH 3 O N O O O O O CH 3 CH 3 Ki = 12.0 nM 433.55 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)ccc1OC Homo sapiens CHEMBL678143 single protein format
CHEMBL119280 OBDepict CH 3 H 3 C CH 3 O N O H S O Ki = 12.2 nM 361.51 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1 Homo sapiens CHEMBL678145 single protein format
CHEMBL150100 OBDepict CH 3 O O O N O O O O H 3 C O CH 3 H 3 C Ki = 13.0 nM 513.59 COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL146919 OBDepict H 3 C O O N O O CH 3 O H 3 C H 3 C H 3 C Ki = 15.0 nM 521.7 CCC(OC(=O)C1CCCCN1C(=O)C(=O)C(C)(C)CC)C(CCc1ccccc1)c1ccc(OC)cc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL126568 OBDepict CH 3 CH 3 CH 3 O N O H O O H Ki = 17.0 nM 449.59 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL804190 single protein format
CHEMBL148446 OBDepict CH 3 O O CH 3 O O CH 3 N O O O N H Ki = 17.0 nM 508.57 COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OCCCc2c[nH]c3ccccc23)cc(OC)c1OC Homo sapiens CHEMBL678143 single protein format
CHEMBL148435 OBDepict H 3 C H 3 C H 3 C O N O O O H Ki = 17.0 nM 449.59 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)O[C@H](CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL150062 OBDepict CH 3 O O CH 3 O O CH 3 N O O O O Ki = 18.0 nM 533.58 COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC Homo sapiens CHEMBL678143 single protein format
CHEMBL4077424 OBDepict CH 3 O N O H H N CH 2 H S O O Cl Cl Ki = 18.8 nM 447.38 C=C[C@H]1CN(CCOC)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL417908 OBDepict CH 3 H 3 C CH 3 O N O O O Ki = 20.0 nM 477.65 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)CCc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL4073944 OBDepict CH 3 O N O H H N H 2 C H S O O Cl Cl Ki = 21.1 nM 461.41 C=C[C@H]1CN(CCOCC)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL432085 OBDepict CH 3 O O O H N S O O Ki = 22.0 nM 417.53 COc1ccc(CCCOC(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)cc1 Homo sapiens CHEMBL682210 single protein format
CHEMBL51710 OBDepict CH 3 O O O N O O H 3 C H 3 C CH 3 Ki = 24.0 nM 403.52 COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C(C)(C)C)cc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL299152 OBDepict H 3 C H 3 C H 3 C O N O O O O O H 3 C O H 3 C H 3 C Ki = 25.0 nM 463.57 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 Homo sapiens CHEMBL678143 single protein format
CHEMBL298173 OBDepict CH 3 CH 3 H 3 C O N O O O Ki = 30.0 nM 505.7 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL440799 OBDepict H 3 C O O CH 3 O O N NH O Ki = 32.0 nM 484.64 COc1ccc(CCCOC(=O)C2CCCCN2C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC Homo sapiens CHEMBL682210 single protein format
CHEMBL149707 OBDepict O O N O O H 3 C CH 3 H 3 C Ki = 32.0 nM 365.51 CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCCC1 Homo sapiens CHEMBL678143 single protein format
CHEMBL370367 OBDepict H 3 C O O CH 3 N N O O O Cl Cl Ki = 34.0 nM 503.38 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL148494 OBDepict O O N S O O Ki = 34.0 nM 415.56 O=C(OCCCCc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL202048 OBDepict H 3 C O O CH 3 N N O O O O O CH 3 H 3 C Ki = 34.0 nM 494.54 COc1cc(OC)cc(C(=O)C(=O)N2C3CCCC2C2c4c(cc(OC)cc4OC)CCN2C3=O)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL148982 OBDepict CH 3 O O CH 3 O O H 3 C N O O O Ki = 40.0 nM 489.61 COc1cc(C(=O)C(=O)N2CCCCC2C(=O)OCCCCC2CCCCC2)cc(OC)c1OC Homo sapiens CHEMBL678143 single protein format
CHEMBL338562 OBDepict H 3 C CH 3 CH 3 O N O H O O Ki = 42.0 nM 359.47 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1 Homo sapiens CHEMBL804190 single protein format
CHEMBL149314 OBDepict H 3 C H 3 C H 3 C O N O O O Ki = 42.0 nM 359.47 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL321022 OBDepict CH 3 H 3 C H 3 C O N O H O O H O O O OH O H 3 C CH 3 IC50 = 44.0 nM 583.68 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1 Homo sapiens CHEMBL678161 single protein format
CHEMBL202102 OBDepict H 3 C O O CH 3 N N O O O Cl Ki = 46.0 nM 468.94 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL30694 OBDepict CH 3 O O CH 3 O O N S O O Ki = 47.0 nM 461.58 COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1OC Homo sapiens CHEMBL682210 single protein format
CHEMBL4086695 OBDepict CH N O H H N CH 2 H S O O Cl Cl Ki = 49.0 nM 427.35 C#CCN1C[C@H](C=C)[C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL4075784 OBDepict CH 2 H N H N CH 3 S O H O O Cl Cl Ki = 49.0 nM 403.33 C=C[C@H]1CN(C)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL4077610 OBDepict CH 2 H NH H N S O H O O Cl Cl Ki = 49.0 nM 389.3 C=C[C@H]1CNC(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL4076387 OBDepict N N O H H N CH 2 H S O O Cl Cl Ki = 49.0 nM 428.34 C=C[C@H]1CN(CC#N)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL4069155 OBDepict F N O H H N CH 2 H S O O Cl Cl Ki = 49.0 nM 435.35 C=C[C@@H]1CN(CCF)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4048814 single protein format
CHEMBL357727 OBDepict O O N O O N Ki = 50.0 nM 512.65 O=C(C(=O)N1CCCCC1C(=O)OC(CCCc1ccccc1)CCCc1ccccn1)c1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL126031 OBDepict CH 3 CH 3 CH 3 O N O H O O H Ki = 52.0 nM 435.56 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1 Homo sapiens CHEMBL804190 single protein format
CHEMBL381691 OBDepict H 3 C O O N CH 3 O N N O O O O O CH 3 O H 3 C CH 3 Ki = 54.0 nM 565.58 COc1cc(OC)cc(N2C=C3C4CCCC(C(=O)N3CC2=O)N4C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL371424 OBDepict H 3 C O O CH 3 N N O S O O Br Ki = 54.0 nM 521.43 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1cccc(Br)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL52541 OBDepict H 3 C H 3 C H 3 C O N O O O O H 3 C Ki = 60.0 nM 417.55 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCCc1ccc(OC)cc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL201970 OBDepict H 3 C O O CH 3 N N O O O O O H 3 C CH 3 Ki = 60.0 nM 494.54 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1ccc(OC)c(OC)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL107774 OBDepict CH 3 NH H 3 C N O H O O H O O O OH O H 3 C H 3 C IC50 = 64.0 nM 570.68 CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1 Homo sapiens CHEMBL678161 single protein format
CHEMBL202012 OBDepict H 3 C O O CH 3 N N O O O O O H 3 C O H 3 C CH 3 Ki = 69.0 nM 524.57 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL1650949 OBDepict CH 3 O O H 3 C O CH 3 O O N S O O + N O _ O IC50 = 70.0 nM 522.58 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC Homo sapiens CHEMBL1657166 assay format
CHEMBL343212 OBDepict H 3 C CH 3 NH N O O O N Ki = 70.0 nM 361.49 CCC(C)CNC(=O)N1CCCCC1C(=O)OCCCc1cccnc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL202227 OBDepict H 3 C O O CH 3 N N O O O Br Ki = 71.0 nM 513.39 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1ccc(Br)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL201849 OBDepict H 3 C O O CH 3 N N O O O Cl Ki = 72.0 nM 468.94 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL150229 OBDepict O O N S O O N Ki = 72.0 nM 388.49 O=C(OCCCc1cccnc1)C1CCCN1S(=O)(=O)Cc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL151327 OBDepict O O N O O CH 3 H 3 C CH 3 Ki = 78.0 nM 375.51 CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL678143 single protein format
CHEMBL149373 OBDepict O O N O O Ki = 82.0 nM 371.48 O=C(C(=O)N1CCCC1C(=O)OCCCc1ccccc1)C1CCCCC1 Homo sapiens CHEMBL678143 single protein format
CHEMBL201214 OBDepict H 3 C O O CH 3 N N O S O O N Ki = 82.0 nM 467.55 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1ccc(C#N)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL203358 OBDepict H 3 C O O CH 3 N N O S O O CH 3 Ki = 84.0 nM 456.56 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1ccc(C)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL381422 OBDepict H 3 C O O O CH 3 H 3 C O N O O N CH 3 Ki = 85.0 nM 478.55 COc1cc(C(=O)C(=O)N2C3CCCC2C2c4cc(C)ccc4CCN2C3=O)cc(OC)c1OC Homo sapiens CHEMBL853597 single protein format
CHEMBL119580 OBDepict H 3 C H 3 C H 3 C O N O H S O Ki = 86.0 nM 465.66 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL678145 single protein format
CHEMBL30416 OBDepict CH 3 O O CH 3 O O H N N HS Ki = 86.0 nM 434.6 COc1ccc(CCCOC(=O)[C@@H]2CCCN2/C(S)=N/C2CCCCC2)cc1OC Homo sapiens CHEMBL682210 single protein format
CHEMBL201714 OBDepict H 3 C O O CH 3 N N O S O O Ki = 88.0 nM 518.64 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL381637 OBDepict H 3 C O O CH 3 N N O O F F O O CH 3 O H 3 C CH 3 Ki = 91.0 nM 546.57 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(F)(F)c1cc(OC)c(OC)c(OC)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL383204 OBDepict H 3 C O O CH 3 N N O S O O Br Ki = 92.0 nM 521.43 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1ccc(Br)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL286230 OBDepict H 3 C O O O N S O O Ki = 92.0 nM 431.55 COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc1 Homo sapiens CHEMBL682210 single protein format
CHEMBL14903 OBDepict H 3 C O O H 3 C O O O H N O O OH H 3 C H IC50 = 94.0 nM 589.69 COc1ccc(CCC(OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C)c2ccccc2)c2cccc(OCC(=O)O)c2)cc1OC Homo sapiens CHEMBL746519 single protein format
CHEMBL148516 OBDepict O O N O O CH 3 H 3 C CH 3 Ki = 95.0 nM 345.44 CC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL2059026 OBDepict CH 3 CH 3 CH 3 O N O H O O H NH 2 O O H 3 C H 3 C IC50 = 100.0 nM 524.66 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(N)c1 Homo sapiens CHEMBL2061149 single protein format
CHEMBL201850 OBDepict H 3 C O O CH 3 N N O O O Ki = 100.0 nM 434.49 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1ccccc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL146203 OBDepict H 3 C O O O N O O Ki = 103.0 nM 429.56 COc1ccc(CCCCOC(=O)C2CCCCN2C(=O)C(=O)C2CCCCC2)cc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL373206 OBDepict H 3 C O O CH 3 N N O S O O CH 3 Ki = 104.0 nM 456.56 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1cccc(C)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL382052 OBDepict CH 3 O O H 3 C O O H 3 C N O O N O CH 3 Ki = 105.0 nM 494.54 COc1cccc2c1CCN1C(=O)C3CCCC(C21)N3C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 Homo sapiens CHEMBL853597 single protein format
CHEMBL202655 OBDepict CH 3 O O CH 3 N N O O O S Ki = 107.0 nM 440.52 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1cccs1 Homo sapiens CHEMBL853597 single protein format
CHEMBL346171 OBDepict O O N S O O Ki = 107.0 nM 505.68 O=C(OC(CCCc1ccccc1)Cc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1 Homo sapiens CHEMBL678143 single protein format
CHEMBL372288 OBDepict H 3 C O O CH 3 N N O O O N Ki = 110.0 nM 435.48 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL33299 OBDepict O N H H N S O O Ki = 110.0 nM 414.57 O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 Homo sapiens CHEMBL682211 single protein format
CHEMBL202088 OBDepict H 3 C O O CH 3 N N O O O F Ki = 110.0 nM 452.48 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1ccc(F)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL381509 OBDepict H 3 C O O CH 3 N N O O O N Ki = 114.0 nM 435.48 COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3C(=O)C(=O)c1ccncc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL149669 OBDepict O O N N H S N Ki = 116.0 nM 427.61 O=C(OCCCc1cccnc1)C1CCCN1C(=S)NC1C2CC3CC(C2)CC1C3 Homo sapiens CHEMBL678143 single protein format
CHEMBL1650947 OBDepict H 3 C O O CH 3 O CH 3 O O N S O O IC50 = 120.0 nM 477.58 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1OC Homo sapiens CHEMBL1657166 assay format
CHEMBL285080 OBDepict CH 3 O O H 3 C O O N S O O Ki = 120.0 nM 461.58 COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)Cc2ccccc2)cc(OC)c1 Homo sapiens CHEMBL682210 single protein format
CHEMBL341856 OBDepict CH 3 CH 3 CH 3 O N O O O O O CH 3 O CH 3 CH 3 Ki = 120.0 nM 435.52 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCc1cc(OC)c(OC)c(OC)c1 Homo sapiens CHEMBL678143 single protein format
CHEMBL202009 OBDepict CH 3 O N O O N O CH 3 O H 3 C Ki = 123.0 nM 462.55 CCc1ccc(C(=O)C(=O)N2C3CCCC2C2c4c(cc(OC)cc4OC)CCN2C3=O)cc1 Homo sapiens CHEMBL853597 single protein format
CHEMBL414675 OBDepict H 3 C O N N O S N O O H H 3 C O H CH 3 Ki = 123.0 nM 449.57 COc1ccc2c(c1)CCN1C(=O)C3CCCC(C21)N3S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 Homo sapiens CHEMBL853597 single protein format
CHEMBL201201 OBDepict H 3 C O O O CH 3 H 3 C O N O O N Cl Ki = 126.0 nM 498.96 COc1cc(C(=O)C(=O)N2C3CCCC2C2c4cc(Cl)ccc4CCN2C3=O)cc(OC)c1OC Homo sapiens CHEMBL853597 single protein format
CHEMBL108247 OBDepict H 3 C H 3 C H 3 C O N O O O N Ki = 130.0 nM 374.48 CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cccnc1 Homo sapiens CHEMBL678143 single protein format