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P09211 | GSTP1_HUMAN | Glutathione S-transferase P (GSTP1)

3D structures mapped by conservation among orthologs

[ Domain: "Glutathione S-transferase (GST)-C" // GST_C_3 ]

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[ Domain: "Thioredoxin-like" // GST_N_5 ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4216562 OBDepict Cl O O O O O O CH 3 O H 3 C IC50 = 51.2 nM 464.86 CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(CCl)ccc21 Homo sapiens CHEMBL4199262 cell-based format
CHEMBL3360523 OBDepict CH 3 O N H O S N O N + N O _ O IC50 = 100.0 nM 374.38 CONC(=O)c1ccc(CCSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360520 OBDepict O N H O S N O N + N O _ O IC50 = 100.0 nM 450.48 O=C(CCc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1)NOCc1ccccc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL442360 OBDepict O HN N H O S NH 2 O OH O OH Cl Ki = 120.0 nM 508.0 NC(CCC(=O)NC(CSCc1ccc(Cl)cc1)C(=O)NC(C(=O)O)c1ccccc1)C(=O)O Homo sapiens CHEMBL686006 single protein format
CHEMBL4757438 OBDepict CH 3 N CH 3 HN O O O S N O N + N O _ O IC50 = 160.0 nM 481.58 CN(C)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737004 single protein format
CHEMBL4757438 OBDepict CH 3 N CH 3 HN O O O S N O N + N O _ O Ki = 170.0 nM 481.58 CN(C)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737013 single protein format
CHEMBL3360504 OBDepict _ O + N O N O N S IC50 = 200.0 nM 301.33 O=[N+]([O-])c1ccc(SCCc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360522 OBDepict O NH O S N O N + N O _ O IC50 = 200.0 nM 436.45 O=C(NOCc1ccccc1)c1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360532 OBDepict H 3 C S CH 3 H 3 C N O N + N O _ O IC50 = 300.0 nM 253.28 CC(C)(C)Sc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360531 OBDepict _ O + N O N O N S IC50 = 300.0 nM 293.35 O=[N+]([O-])c1ccc(SCC2CCCCC2)c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL4763818 OBDepict O O N O O S N O N + N O _ O IC50 = 330.0 nM 466.52 O=C(CCC(=O)N1CCOCC1)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737004 single protein format
CHEMBL3360518 OBDepict OH O S N O N + N O _ O IC50 = 400.0 nM 331.31 O=C(O)Cc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360530 OBDepict CH 3 O O HN S O O N O N + N O _ O IC50 = 400.0 nM 432.41 COC(=O)C(CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL4777228 OBDepict CH 3 O HN O O O S N O N + N O _ O IC50 = 420.0 nM 502.55 COc1ccc(NC(=O)CCC(=O)OCCCCCCSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL4737004 single protein format
CHEMBL58951 OBDepict O NH N H O S NH 2 O HO O HO Ki = 420.0 nM 473.55 NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NC(C(=O)O)c1ccccc1)C(=O)O Homo sapiens CHEMBL686006 single protein format
CHEMBL4797471 OBDepict O N H O O N S N O N + N O _ O IC50 = 460.0 nM 493.59 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)NCCN1CCCC1 Homo sapiens CHEMBL4737004 single protein format
CHEMBL197460 OBDepict O HN N H O S NH 2 O OH O HO OH Ki = 490.0 nM 427.48 NC(CCC(=O)NC(CSCC(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL881347 single protein format
CHEMBL47 OBDepict H 3 C H 3 C CH 3 H CH 3 H H 3 C O CH 3 CH 3 H 3 C HO IC50 = 500.0 nM 430.72 Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 Homo sapiens CHEMBL4199256 single protein format
CHEMBL3360513 OBDepict CH 3 O N H O S N O N + N O _ O IC50 = 500.0 nM 346.32 CONC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360535 OBDepict HO S N O N + N O _ O IC50 = 500.0 nM 325.39 O=[N+]([O-])c1ccc(SCCCCCCCCO)c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL4794932 OBDepict O O N O S N O N + N O _ O IC50 = 500.0 nM 464.54 O=C(CCC(=O)N1CCCCC1)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737004 single protein format
CHEMBL3360505 OBDepict _ O + N O N O N S IC50 = 500.0 nM 315.35 O=[N+]([O-])c1ccc(SCCCc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL4748062 OBDepict O O O OH S N O N + N O _ O IC50 = 530.0 nM 397.41 O=C(O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737004 single protein format
CHEMBL4764480 OBDepict CH 3 N CH 3 HN O O O S N O N + N O _ O IC50 = 540.0 nM 467.55 CN(C)CCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737004 single protein format
CHEMBL3360512 OBDepict CH 3 N CH 3 O S N O N + N O _ O IC50 = 600.0 nM 344.35 CN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL2430537 OBDepict _ O + N O N O N S IC50 = 600.0 nM 273.27 O=[N+]([O-])c1ccc(Sc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360529 OBDepict H 3 C O O N H S O O CH 3 H 3 C CH 3 N O N + N O _ O IC50 = 600.0 nM 398.4 COC(=O)C(CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3378816 single protein format
CHEMBL565458 OBDepict H 3 C CH 2 O Cl O O N N IC50 = 600.0 nM 354.79 C=C(C)C(=O)c1ccc(OCc2nc(-c3ccccc3)no2)cc1Cl Homo sapiens CHEMBL1049273 cell-based format
CHEMBL195934 OBDepict O N H NH O S NH 2 O OH O HO O OH Ki = 660.0 nM 441.46 NC(CCC(=O)NC(CSC(C(=O)O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O Homo sapiens CHEMBL881347 single protein format
CHEMBL3360519 OBDepict OH O S N O N + N O _ O IC50 = 700.0 nM 345.34 O=C(O)CCc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360521 OBDepict CH 3 O O S N O N + N O _ O IC50 = 700.0 nM 359.36 CCOC(=O)c1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL570107 OBDepict CH 3 H 2 C O Cl O O N N F F F IC50 = 700.0 nM 422.79 C=C(C)C(=O)c1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1Cl Homo sapiens CHEMBL1049273 cell-based format
CHEMBL582973 OBDepict F N N O O Cl O H 2 C CH 3 IC50 = 700.0 nM 372.78 C=C(C)C(=O)c1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1Cl Homo sapiens CHEMBL1049273 cell-based format
CHEMBL1234570 OBDepict _ O + N O N O N S HO IC50 = 800.0 nM 297.34 O=[N+]([O-])c1ccc(SCCCCCCO)c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360510 OBDepict H 2 N O S N O N + N O _ O IC50 = 800.0 nM 316.3 NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL58507 OBDepict CH 3 S N H HN O O O OH NH 2 O OH Ki = 850.0 nM 467.59 CCCCCCSCC(NC(=O)CCC(N)C(=O)O)C(=O)NC(C(=O)O)c1ccccc1 Homo sapiens CHEMBL686006 single protein format
CHEMBL3360515 OBDepict O HN O S N O N + N O _ O IC50 = 1000.0 nM 422.42 O=C(NOCc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format
CHEMBL2430532 OBDepict _ O + N O N O N S IC50 = 1000.0 nM 287.3 O=[N+]([O-])c1ccc(SCc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378816 single protein format
CHEMBL3360517 OBDepict CH 3 N CH 3 N H O S N O N + N O _ O IC50 = 1000.0 nM 387.42 CN(C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378816 single protein format