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P07237 | PDIA1_HUMAN | Protein disulfide-isomerase (P4HB)

3D structures mapped by conservation among orthologs

[ Domain: "Thioredoxin-like" // Thioredoxin_6_N ]

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[ Domain: "Thioredoxin-like" // Thioredoxin_6_C ]

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[ Domain: "Thioredoxin-like" // Thioredoxin ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4748449 OBDepict OH O N O O O IC50 = 23.0 nM 341.36 Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCCC1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL4786482 OBDepict OH O N H O N O O IC50 = 72.0 nM 364.36 Oc1cc2c(cc1C(Nc1ccccn1)c1ccc3c(c1)OCO3)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL1369923 OBDepict Cl N HO O O O IC50 = 92.0 nM 347.8 Oc1cc2c(cc1C(c1ccc(Cl)cc1)N1CCOCC1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL3741464 OBDepict HO N N H IC50 = 110.0 nM 326.4 Oc1c(C(Nc2ccccc2)c2ccccc2)ccc2cccnc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4483086 OBDepict CH 3 O O O OH IC50 = 120.0 nM 282.3 COC(=O)c1cccc(/C=C/C(=O)c2cccc(O)c2)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL1319324 OBDepict CH 3 O N OH O O O IC50 = 130.0 nM 343.38 COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4472710 OBDepict CH 3 O O O Br OH IC50 = 130.0 nM 375.22 COC(=O)c1cccc(/C=C/C(=O)c2ccc(CO)c(Br)c2)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4740031 OBDepict F N H OH N N CH 3 IC50 = 140.0 nM 359.4 Cc1ccnc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1688556 OBDepict HO N N H + N O _ O IC50 = 150.0 nM 371.4 O=[N+]([O-])c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL3703646 OBDepict CH 3 O OH NH OH N N CH 3 IC50 = 150.0 nM 387.44 COc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O Homo sapiens CHEMBL4729810 assay format
CHEMBL4459949 OBDepict CH 3 N S O O O N CH 3 IC50 = 160.0 nM 452.62 CCCCCN(CCCCC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 Homo sapiens CHEMBL4390738 assay format
CHEMBL591855 OBDepict CH 3 NH OH N N IC50 = 170.0 nM 355.44 CCc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL590899 OBDepict Cl N H OH N N IC50 = 170.0 nM 361.83 Oc1c(C(Nc2ccccn2)c2ccc(Cl)cc2)ccc2cccnc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4780610 OBDepict CH 3 O OH O NH CH 3 OH N O O IC50 = 170.0 nM 396.4 COc1cc(C(Nc2ccccn2)c2cc3c(cc2O)OCO3)cc(OC)c1O Homo sapiens CHEMBL4729810 assay format
CHEMBL1557864 OBDepict H 3 C O O CH 3 O N H 3 C HO O O IC50 = 180.0 nM 387.43 COc1cc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc(OC)c1OC Homo sapiens CHEMBL4729810 assay format
CHEMBL4790355 OBDepict CH 3 O OH O NH H 3 C OH N N H 3 C IC50 = 180.0 nM 417.47 COc1cc(C(Nc2ccc(C)cn2)c2ccc3cccnc3c2O)cc(OC)c1O Homo sapiens CHEMBL4729810 assay format
CHEMBL600752 OBDepict CH 3 H 3 C CH 3 N H OH N N IC50 = 190.0 nM 369.47 Cc1cc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c(C)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1536119 OBDepict CH 3 O O O N Cl HO IC50 = 190.0 nM 417.93 CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Homo sapiens CHEMBL4257297 assay format
CHEMBL4751839 OBDepict OH O N O N H 3 C CH 3 IC50 < 200.0 nM 340.42 CN(C)c1ccc(C(c2cc3c(cc2O)OCO3)N2CCCC2)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1314575 OBDepict F N HO O O IC50 < 200.0 nM 315.34 Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCC1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL1700391 OBDepict CH 3 N N H OH N IC50 < 200.0 nM 341.41 Cc1ccnc(NC(c2ccccc2)c2ccc3cccnc3c2O)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4753606 OBDepict OH O N N IC50 < 200.0 nM 308.38 Oc1c(C(c2ccncc2)N2CCCCC2)ccc2ccoc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4782018 OBDepict H 3 C O O N H HO N IC50 < 200.0 nM 398.46 CCOC(=O)c1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O Homo sapiens CHEMBL4729810 assay format
CHEMBL1434181 OBDepict OH O N O O O O IC50 < 200.0 nM 357.36 Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCOCC1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL4776896 OBDepict HO O N O O F F IC50 < 200.0 nM 387.38 Oc1c(C(c2ccc3c(c2)OC(F)(F)O3)N2CCCCC2)ccc2ccoc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4446669 OBDepict OH O N IC50 = 210.0 nM 301.35 O=C(/C=C/c1ccc(-c2ccncc2)cc1)c1cccc(O)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4550951 OBDepict N O F HO IC50 = 210.0 nM 267.26 N#Cc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1 Homo sapiens CHEMBL4390738 assay format
CHEMBL1554780 OBDepict CH 3 O OH N OH O O O IC50 = 230.0 nM 359.38 COc1cc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)ccc1O Homo sapiens CHEMBL4729810 assay format
CHEMBL4472807 OBDepict OH O N N IC50 = 230.0 nM 340.38 O=C(/C=C/c1ccc(-n2cnc3ccccc32)cc1)c1cccc(O)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL2323557 OBDepict F N HO O O O IC50 = 230.0 nM 331.34 Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCOCC1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL4799930 OBDepict F N HO O O IC50 = 270.0 nM 329.37 Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL4782811 OBDepict F N OH O O IC50 = 290.0 nM 343.4 Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2c1OCCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL4763853 OBDepict HO N N N H N IC50 = 290.0 nM 372.47 Oc1ccc2[nH]ncc2c1C(c1ccc(-n2cccc2)cc1)N1CCCCC1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1979298 OBDepict OH O N H OH N IC50 = 300.0 nM 370.41 O=C(O)c1ccc(NC(c2ccccc2)c2ccc3cccnc3c2O)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1565145 OBDepict CH 3 O O CH 3 N OH O O O IC50 = 300.0 nM 373.41 COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC Homo sapiens CHEMBL4729810 assay format
CHEMBL4753733 OBDepict OH O N F F F IC50 = 300.0 nM 375.39 Oc1c(C(c2ccc(C(F)(F)F)cc2)N2CCCCC2)ccc2ccoc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL1485589 OBDepict CH 3 O N OH O O O IC50 = 330.0 nM 343.38 COc1ccccc1C(c1cc2c(cc1O)OCO2)N1CCOCC1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4764068 OBDepict HO N N N H N S IC50 = 340.0 nM 390.51 Oc1ccc2[nH]ncc2c1C(c1ccc(-c2nccs2)cc1)N1CCCCC1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1360077 OBDepict OH O N O OH O IC50 = 340.0 nM 329.35 Oc1ccccc1C(c1cc2c(cc1O)OCO2)N1CCOCC1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4776190 OBDepict F N OH N N H IC50 = 350.0 nM 325.39 Oc1ccc2[nH]ncc2c1C(c1ccc(F)cc1)N1CCCCC1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4755661 OBDepict F HN HO N N CH 3 IC50 = 350.0 nM 359.4 Cc1ccnc(NC(c2cccc(F)c2)c2ccc3cccnc3c2O)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1433812 OBDepict OH O N O O O IC50 = 350.0 nM 355.39 Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCCCC1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL4464788 OBDepict OH O N IC50 = 350.0 nM 301.35 O=C(/C=C/c1ccc(-c2cccnc2)cc1)c1cccc(O)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4745645 OBDepict CH 3 O O CH 3 N OH O O IC50 = 360.0 nM 357.41 COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCC2)c(OC)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1434798 OBDepict Cl OH NH OH N N IC50 = 370.0 nM 377.83 Oc1cccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1Cl Homo sapiens CHEMBL4729810 assay format
CHEMBL4747596 OBDepict CH 3 O O CH 3 N OH N O IC50 = 390.0 nM 380.44 COc1cccc(C(c2ccc3cccnc3c2O)N2CCOCC2)c1OC Homo sapiens CHEMBL4729810 assay format
CHEMBL4756890 OBDepict H 3 C O N H HO N IC50 = 390.0 nM 356.43 COc1ccccc1NC(c1ccccc1)c1ccc2cccnc2c1O Homo sapiens CHEMBL4729810 assay format
CHEMBL4567542 OBDepict Br O OH IC50 = 400.0 nM 303.16 O=C(/C=C/c1ccc(Br)cc1)c1cccc(O)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4520508 OBDepict CH 3 O O O OH IC50 = 400.0 nM 282.3 COC(=O)c1cccc(/C=C/C(=O)c2ccc(O)cc2)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4785141 OBDepict HO O N IC50 = 410.0 nM 347.46 Oc1c(C(c2ccc3c(c2)CCC3)N2CCCCC2)ccc2ccoc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL1497004 OBDepict CH 3 N H OH N N IC50 = 460.0 nM 341.41 Cc1ccc(C(Nc2ccccn2)c2ccc3cccnc3c2O)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1326401 OBDepict F N H OH N N IC50 = 470.0 nM 345.38 Oc1c(C(Nc2ccccn2)c2ccccc2F)ccc2cccnc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4520670 OBDepict CH 3 O O O HO F F F IC50 = 490.0 nM 350.29 COC(=O)c1cccc(/C=C/C(=O)c2ccc(O)c(C(F)(F)F)c2)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL2094875 OBDepict Cl N H OH N N IC50 = 500.0 nM 361.83 Oc1c(C(Nc2ccccn2)c2ccccc2Cl)ccc2cccnc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4791006 OBDepict CH 3 O O CH 3 N OH O O O F F IC50 = 510.0 nM 409.39 COc1cccc(C(c2cc3c(cc2O)OC(F)(F)O3)N2CCOCC2)c1OC Homo sapiens CHEMBL4729810 assay format
CHEMBL4749715 OBDepict HO N N N H + N O _ O IC50 = 520.0 nM 352.39 O=[N+]([O-])c1ccc(C(c2c(O)ccc3[nH]ncc23)N2CCCCC2)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL589706 OBDepict H 3 C N N H HO N + N O _ O IC50 = 530.0 nM 386.41 Cc1ccnc(NC(c2ccc([N+](=O)[O-])cc2)c2ccc3cccnc3c2O)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4747039 OBDepict F N OH O IC50 = 560.0 nM 325.38 Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2ccoc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4777232 OBDepict F N OH N S IC50 = 570.0 nM 342.44 Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2scnc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4758414 OBDepict F N OH N IC50 = 610.0 nM 336.41 Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cnccc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4799197 OBDepict CH 3 N NH OH N O IC50 = 620.0 nM 447.54 Cc1ccnc(NC(c2ccc(OCc3ccccc3)cc2)c2ccc3cccnc3c2O)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL522733 OBDepict CH 3 O N OH N O O IC50 = 620.0 nM 324.34 COc1ccc(C(c2cc3c(cc2O)OCO3)n2ccnc2)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1316752 OBDepict H 3 C O O CH 3 O N H 3 C HO O O O IC50 = 640.0 nM 403.43 COc1cc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)cc(OC)c1OC Homo sapiens CHEMBL4729810 assay format
CHEMBL3187354 OBDepict O O H 3 C H 3 C CH 3 O N Cl HO IC50 = 650.0 nM 445.99 CC(C)(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Homo sapiens CHEMBL4257297 assay format
CHEMBL4749634 OBDepict F N OH N N IC50 = 660.0 nM 337.4 Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2nccnc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL4785968 OBDepict F N HO O O IC50 = 670.0 nM 343.4 Oc1cc2c(cc1C(c1ccc(F)cc1)N1CCCCC1)OCCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL513615 OBDepict F N OH N O O IC50 = 670.0 nM 312.3 Oc1cc2c(cc1C(c1ccc(F)cc1)n1ccnc1)OCO2 Homo sapiens CHEMBL4729810 assay format
CHEMBL4744354 OBDepict OH N OH O N H O IC50 = 680.0 nM 328.37 Oc1ccc(C(c2cc3c(cc2O)OCO3)N2CCNCC2)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4749576 OBDepict F N OH N IC50 = 690.0 nM 336.41 Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2cccnc12 Homo sapiens CHEMBL4729810 assay format
CHEMBL1570211 OBDepict H 3 C O O CH 3 O N H 3 C HO O O IC50 = 700.0 nM 401.46 COc1cc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc(OC)c1OC Homo sapiens CHEMBL4729810 assay format
CHEMBL4799492 OBDepict HO N N N H F F F IC50 = 710.0 nM 375.39 Oc1ccc2[nH]ncc2c1C(c1ccc(C(F)(F)F)cc1)N1CCCCC1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4797378 OBDepict CH 3 H 3 C N H OH N N IC50 = 730.0 nM 355.44 Cc1ccc(C)c(C(Nc2ccccn2)c2ccc3cccnc3c2O)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL4459634 OBDepict N O OH IC50 = 740.0 nM 249.27 N#Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4470548 OBDepict CH 3 N S O O O OH CH 3 IC50 = 810.0 nM 443.61 CCCCCN(CCCCC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4447323 OBDepict H 3 C N S O O O N CH 3 IC50 = 820.0 nM 396.51 CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4513992 OBDepict N O B OH OH IC50 = 830.0 nM 277.09 N#Cc1cccc(/C=C/C(=O)c2ccc(B(O)O)cc2)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL4744038 OBDepict OH N N N H N N IC50 = 830.0 nM 385.47 Oc1ccc2[nH]ncc2c1C(c1ccc(-c2cncnc2)cc1)N1CCCCC1 Homo sapiens CHEMBL4729810 assay format
CHEMBL3186999 OBDepict CH 3 O H 3 C O O N Cl HO IC50 = 850.0 nM 431.96 CC(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Homo sapiens CHEMBL4257297 assay format
CHEMBL4545330 OBDepict N O OH IC50 = 850.0 nM 249.27 N#Cc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1 Homo sapiens CHEMBL4390738 assay format
CHEMBL1490147 OBDepict CH 3 O N OH O O IC50 = 880.0 nM 341.41 COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc1 Homo sapiens CHEMBL4729810 assay format
CHEMBL589912 OBDepict CH 3 N N H OH F N IC50 = 880.0 nM 359.4 Cc1ccnc(NC(c2ccccc2F)c2ccc3cccnc3c2O)c1 Homo sapiens CHEMBL4729810 assay format
CHEMBL1476047 OBDepict CH 3 O OH N OH O O O IC50 = 900.0 nM 359.38 COc1cccc(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c1O Homo sapiens CHEMBL4729810 assay format
CHEMBL1604428 OBDepict CH 3 O O CH 3 N OH O O IC50 = 960.0 nM 371.43 COc1ccc(C(c2cc3c(cc2O)OCO3)N2CCCCC2)cc1OC Homo sapiens CHEMBL4729810 assay format
CHEMBL1360494 OBDepict CH 3 O O O CH 3 H 3 C N HO O O O IC50 = 980.0 nM 403.43 COc1cc(OC)c(C(c2cc3c(cc2O)OCO3)N2CCOCC2)c(OC)c1 Homo sapiens CHEMBL4729810 assay format