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P62937 | PPIA_HUMAN | Peptidyl-prolyl cis-trans isomerase A (PPIA)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL559525 OBDepict O N H N H O F Cl IC50 = 1.52 nM 380.81 O=C(NC(=O)c1c(F)cccc1Cl)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL560851 OBDepict O N H N H O Cl Cl IC50 = 2.59 nM 397.26 O=C(NC(=O)c1c(Cl)cccc1Cl)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL4063126 OBDepict O N H H H 3 C H 3 C O HN H H 3 C O N N H H H CH 3 O O Ki = 4.3 nM 512.65 CC(C)[C@@H]1NC(=O)CCCC/C=C/c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O Homo sapiens CHEMBL3993644 assay format
CHEMBL3752642 OBDepict CH 3 O O CH 3 O N H 3 C N H O O N H H 3 C CH 3 IC50 = 5.5 nM 597.76 COc1cc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccc(C(C)C)cc2)cc(OC)c1OC Homo sapiens CHEMBL3754980 single protein format
CHEMBL4084776 OBDepict H 3 C O H H H 3 C O N H H CH 3 H 3 C O N H H CH 3 H CH 3 O O N NH O H Ki = 7.0 nM 556.7 CO[C@@H]1CC/C=C/c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1C Homo sapiens CHEMBL3993644 assay format
CHEMBL3754544 OBDepict CH 3 O N O NH O Br + N O _ O IC50 = 11.2 nM 594.51 COc1ccc(CCC(=O)N(c2ccc(Br)cc2)C(C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1 Homo sapiens CHEMBL3754980 single protein format
CHEMBL560115 OBDepict O HN N H O O IC50 = 12.1 nM 434.5 O=C(NC(=O)c1ccccc1OCc1ccccc1)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL203193 OBDepict O NH N H N O + N O _ O IC50 = 14.0 nM 364.36 O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL203194 OBDepict H 3 C O O HN HN O N O IC50 = 20.0 nM 391.43 CCOC(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL559858 OBDepict O N H N H O HO HO IC50 = 31.6 nM 360.37 O=C(NC(=O)c1c(O)cccc1O)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL1770807 OBDepict O N H NH 2 H N O N H H O OH IC50 = 33.11 nM 358.4 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O Homo sapiens CHEMBL1772770 single protein format
CHEMBL201395 OBDepict O NH N H N O + N O _ O IC50 = 60.0 nM 364.36 O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL373254 OBDepict O N H N H N O S O O NH 2 IC50 = 60.0 nM 398.44 NS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL4100272 OBDepict CH 3 O H H CH 3 O N H H H 3 C CH 3 O HN H O O N N H O H OH Ki = 65.0 nM 598.74 CO[C@@H]1CC/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1C Homo sapiens CHEMBL3993644 assay format
CHEMBL201645 OBDepict O NH N H N O O HO IC50 = 71.0 nM 363.37 O=C(Nc1cccc(C(=O)O)c1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL557628 OBDepict N NH O N H O IC50 = 71.2 nM 353.38 N#Cc1ccccc1C(=O)NC(=O)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL4092230 OBDepict H 3 C S N O HN N H O H 2 N IC50 = 100.0 nM 474.63 CSc1ccccc1C1CCCN1C(=O)C(NC(=O)NCc1ccc(N)cc1)c1ccccc1 Homo sapiens CHEMBL4668627 assay format
CHEMBL560173 OBDepict O N H HN O Cl IC50 = 103.0 nM 362.82 O=C(NC(=O)c1ccccc1Cl)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL489041 OBDepict S N H N H Cl S HN O O N S IC50 = 130.0 nM 424.96 O=S(=O)(Nc1nccs1)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 Homo sapiens CHEMBL960175 single protein format
CHEMBL549755 OBDepict O HN N H O OH OH IC50 = 136.0 nM 278.31 O=C(NC(=O)c1c(O)cccc1O)NC1CCCCC1 Homo sapiens CHEMBL1056315 single protein format
CHEMBL201664 OBDepict O NH N H N O O OH IC50 = 140.0 nM 363.37 O=C(Nc1ccc(C(=O)O)cc1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL551508 OBDepict O N H HN O F IC50 = 159.0 nM 346.36 O=C(NC(=O)c1ccccc1F)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL443891 OBDepict S N H N H Cl H 3 C S HN O O N S IC50 = 160.0 nM 438.99 Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1Cl Homo sapiens CHEMBL960175 single protein format
CHEMBL525897 OBDepict O N H N H O F F IC50 = 263.0 nM 364.35 O=C(NC(=O)c1c(F)cccc1F)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL202414 OBDepict O NH N H N O F F F IC50 = 303.0 nM 387.36 O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL199968 OBDepict O NH N H N O Cl IC50 = 316.0 nM 353.81 O=C(Nc1cccc(Cl)c1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL371213 OBDepict CH 3 N H S O O HN N H O N O IC50 = 320.0 nM 412.47 CNS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL489022 OBDepict S N H N H Cl S HN O O N O CH 3 IC50 = 330.0 nM 422.92 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(Cl)c3)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL445297 OBDepict S N H N H F S HN O O N O CH 3 IC50 = 350.0 nM 406.46 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL201394 OBDepict O NH N H N O O NH 2 IC50 = 361.0 nM 362.39 NC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 Homo sapiens CHEMBL869970 single protein format
CHEMBL560850 OBDepict O N H HN O F F F IC50 = 364.0 nM 396.37 O=C(NC(=O)c1ccccc1C(F)(F)F)NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL552181 OBDepict O HN N H O OH OH IC50 = 370.0 nM 286.29 O=C(NCc1ccccc1)NC(=O)c1c(O)cccc1O Homo sapiens CHEMBL1056315 single protein format
CHEMBL489021 OBDepict S N H N H F S HN O O N O CH 3 IC50 = 380.0 nM 406.46 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(F)c3)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL490247 OBDepict S N H N H Br S HN O O N O CH 3 IC50 = 450.0 nM 467.37 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(Br)c3)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL489042 OBDepict S N H N H H 3 C S HN O O N S IC50 = 450.0 nM 404.54 Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 Homo sapiens CHEMBL960175 single protein format
CHEMBL198293 OBDepict O NH N H N F O F IC50 = 458.0 nM 355.34 O=C(Nc1ccc(F)cc1F)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL489822 OBDepict S N H HN + N Cl H 3 C O _ O CH 3 IC50 = 460.0 nM 335.82 Cc1ccc(NC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl Homo sapiens CHEMBL960175 single protein format
CHEMBL382465 OBDepict O NH N H N O F F F IC50 = 499.0 nM 387.36 O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL199550 OBDepict O HN N H N O HN O NH 2 IC50 = 528.0 nM 377.4 NC(=O)Nc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 Homo sapiens CHEMBL869970 single protein format
CHEMBL489637 OBDepict S N H N H S HN O O N O CH 3 IC50 = 580.0 nM 388.47 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL492070 OBDepict S N H HN Cl O O CH 3 IC50 = 590.0 nM 332.81 Cc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC3)cc1Cl Homo sapiens CHEMBL960175 single protein format
CHEMBL201450 OBDepict O NH N H N Cl O IC50 = 592.0 nM 353.81 O=C(Nc1ccccc1Cl)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL522094 OBDepict S N H N H H 3 C S HN O O N O CH 3 IC50 = 600.0 nM 402.5 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3C)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL540479 OBDepict O HN NH O + N O _ O IC50 = 620.0 nM 373.37 O=C(NC(=O)c1ccccc1[N+](=O)[O-])NC1c2ccccc2-c2ccccc21 Homo sapiens CHEMBL1056315 single protein format
CHEMBL200133 OBDepict O HN N H N O Cl IC50 = 640.0 nM 353.81 O=C(Nc1ccc(Cl)cc1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL521943 OBDepict S N H N H Cl H 3 C S HN O O N O CH 3 IC50 = 650.0 nM 436.95 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(C)c(Cl)c3)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL522416 OBDepict S N H N H Cl S HN O O N O CH 3 IC50 = 690.0 nM 422.92 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)no1 Homo sapiens CHEMBL960175 single protein format
CHEMBL490848 OBDepict S N H HN F O O IC50 = 740.0 nM 302.33 O=C1OCc2ccc(NC(=S)Nc3cccc(F)c3)cc21 Homo sapiens CHEMBL3060856 assay format
CHEMBL2234401 OBDepict CH 3 N N N CH 3 N H CH 3 + N NH S O _ O Cl H 3 C IC50 = 740.0 nM 408.92 CCN(CC)c1nc(C)c([N+](=O)[O-])c(NC(=S)Nc2ccc(C)c(Cl)c2)n1 Homo sapiens CHEMBL3060856 assay format
CHEMBL518980 OBDepict CH 3 N N N CH 3 HN CH 3 + N O _ O N H N H S Cl H 3 C IC50 = 740.0 nM 451.98 CCN(CC)c1nc(C)c([N+](=O)[O-])c(NCCNC(=S)Nc2ccc(C)c(Cl)c2)n1 Homo sapiens CHEMBL960175 single protein format
CHEMBL382567 OBDepict H 3 C O O HN HN O N O IC50 = 748.0 nM 377.4 COC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 Homo sapiens CHEMBL869970 single protein format
CHEMBL202880 OBDepict O NH N H N O IC50 = 754.0 nM 319.36 O=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL4082253 OBDepict O N H H H 3 C H 3 C O HN H O N N H HO H O O Ki = 795.0 nM 554.69 CC(C)[C@@H]1NC(=O)CCCC/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC1=O Homo sapiens CHEMBL3993644 assay format
CHEMBL2234018 OBDepict CH 3 N N N CH 3 N H CH 3 + N NH S O _ O Br IC50 = 810.0 nM 439.34 CCN(CC)c1nc(C)c([N+](=O)[O-])c(NC(=S)Nc2cccc(Br)c2)n1 Homo sapiens CHEMBL3060856 assay format
CHEMBL201718 OBDepict O NH N H N O O NH 2 IC50 = 810.0 nM 362.39 NC(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL482839 OBDepict CH 3 N N N CH 3 HN CH 3 + N O _ O N H N H S Br IC50 = 810.0 nM 482.41 CCN(CC)c1nc(C)c([N+](=O)[O-])c(NCCNC(=S)Nc2cccc(Br)c2)n1 Homo sapiens CHEMBL960175 single protein format
CHEMBL203142 OBDepict H 3 C O O NH NH O N O IC50 = 880.0 nM 391.43 CCOC(=O)c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1 Homo sapiens CHEMBL869970 single protein format
CHEMBL489821 OBDepict CH 3 O N H N H S O O IC50 = 920.0 nM 314.37 COc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC3)cc1 Homo sapiens CHEMBL3060856 assay format
CHEMBL3739446 OBDepict O N H N H O F HO HO IC50 = 940.0 nM 378.36 O=C(NC(=O)c1c(O)cccc1O)NC1c2ccccc2-c2cccc(F)c21 Homo sapiens CHEMBL3743215 single protein format
CHEMBL201025 OBDepict CH 3 O O NH N H O N O IC50 = 951.0 nM 391.43 CCOC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 Homo sapiens CHEMBL869970 single protein format