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P28161 | GSTM2_HUMAN | Glutathione S-transferase Mu 2 (GSTM2)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3360522 OBDepict O NH O S N O N + N O _ O IC50 = 3.0 nM 436.45 O=C(NOCc1ccccc1)c1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 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 = 5.0 nM 398.4 COC(=O)C(CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360531 OBDepict _ O + N O N O N S IC50 = 5.0 nM 293.35 O=[N+]([O-])c1ccc(SCC2CCCCC2)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3352898 OBDepict OH O S N O N + N O _ O IC50 = 6.0 nM 331.31 O=C(O)c1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360535 OBDepict HO S N O N + N O _ O IC50 = 6.0 nM 325.39 O=[N+]([O-])c1ccc(SCCCCCCCCO)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360521 OBDepict CH 3 O O S N O N + N O _ O IC50 = 7.0 nM 359.36 CCOC(=O)c1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360530 OBDepict CH 3 O O HN S O O N O N + N O _ O IC50 = 8.0 nM 432.41 COC(=O)C(CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360505 OBDepict _ O + N O N O N S IC50 = 10.0 nM 315.35 O=[N+]([O-])c1ccc(SCCCc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360518 OBDepict OH O S N O N + N O _ O IC50 = 10.0 nM 331.31 O=C(O)Cc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL1234570 OBDepict _ O + N O N O N S HO IC50 = 10.0 nM 297.34 O=[N+]([O-])c1ccc(SCCCCCCO)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL2430532 OBDepict _ O + N O N O N S IC50 = 20.0 nM 287.3 O=[N+]([O-])c1ccc(SCc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360520 OBDepict O N H O S N O N + N O _ O IC50 = 20.0 nM 450.48 O=C(CCc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1)NOCc1ccccc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360515 OBDepict O HN O S N O N + N O _ O IC50 = 20.0 nM 422.42 O=C(NOCc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360519 OBDepict OH O S N O N + N O _ O IC50 = 20.0 nM 345.34 O=C(O)CCc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360504 OBDepict _ O + N O N O N S IC50 = 20.0 nM 301.33 O=[N+]([O-])c1ccc(SCCc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360534 OBDepict _ O + N O N O N S OH IC50 = 30.0 nM 269.28 O=[N+]([O-])c1ccc(SCCCCO)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360528 OBDepict O N O S N O N + N O _ O IC50 = 30.0 nM 350.36 O=C1CCN(C(=O)CCSc2ccc([N+](=O)[O-])c3nonc23)CC1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360524 OBDepict _ O + N O N O N S O O CH 3 IC50 = 30.0 nM 283.27 COC(=O)CCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360523 OBDepict CH 3 O N H O S N O N + N O _ O IC50 = 30.0 nM 374.38 CONC(=O)c1ccc(CCSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360532 OBDepict H 3 C S CH 3 H 3 C N O N + N O _ O IC50 = 40.0 nM 253.28 CC(C)(C)Sc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360527 OBDepict O N S N O N + N O _ O IC50 = 40.0 nM 322.35 O=C1CCN(CCSc2ccc([N+](=O)[O-])c3nonc23)CC1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL2430537 OBDepict _ O + N O N O N S IC50 = 40.0 nM 273.27 O=[N+]([O-])c1ccc(Sc2ccccc2)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360511 OBDepict OH N H O S N O N + N O _ O IC50 = 50.0 nM 332.3 O=C(NO)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360526 OBDepict _ O + N O N O N S O N H OH IC50 = 60.0 nM 312.31 O=C(CCSc1ccc([N+](=O)[O-])c2nonc12)NCCO Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360533 OBDepict _ O + N O N O N S HO OH IC50 = 70.0 nM 271.25 O=[N+]([O-])c1ccc(SCC(O)CO)c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360525 OBDepict CH 3 HN O S N O N + N O _ O IC50 = 70.0 nM 282.28 CC(=O)NCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360507 OBDepict _ O + N O N O N S O OH IC50 = 80.0 nM 317.28 O=C(O)c1cccc(Sc2ccc([N+](=O)[O-])c3nonc23)c1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL4757438 OBDepict CH 3 N CH 3 HN O O O S N O N + N O _ O IC50 = 90.0 nM 481.58 CN(C)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4757112 OBDepict O O NH O S F F F N O N + N O _ O IC50 = 90.0 nM 540.52 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4742105 OBDepict O N H O O N O S N O N + N O _ O IC50 = 100.0 nM 509.59 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)NCCN1CCOCC1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4794932 OBDepict O O N O S N O N + N O _ O IC50 = 110.0 nM 464.54 O=C(CCC(=O)N1CCCCC1)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4777228 OBDepict CH 3 O HN O O O S N O N + N O _ O IC50 = 130.0 nM 502.55 COc1ccc(NC(=O)CCC(=O)OCCCCCCSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL3360513 OBDepict CH 3 O N H O S N O N + N O _ O IC50 = 130.0 nM 346.32 CONC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360509 OBDepict CH 3 O O S N O N + N O _ O IC50 = 140.0 nM 345.34 CCOC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL4764480 OBDepict CH 3 N CH 3 HN O O O S N O N + N O _ O IC50 = 160.0 nM 467.55 CN(C)CCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4748062 OBDepict O O O OH S N O N + N O _ O IC50 = 160.0 nM 397.41 O=C(O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4763818 OBDepict O O N O O S N O N + N O _ O IC50 = 170.0 nM 466.52 O=C(CCC(=O)N1CCOCC1)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL3360512 OBDepict CH 3 N CH 3 O S N O N + N O _ O IC50 = 190.0 nM 344.35 CN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL3360510 OBDepict H 2 N O S N O N + N O _ O IC50 = 200.0 nM 316.3 NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL4797471 OBDepict O N H O O N S N O N + N O _ O IC50 = 200.0 nM 493.59 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)NCCN1CCCC1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL3360508 OBDepict HO O S N O N + N O _ O IC50 = 230.0 nM 317.28 O=C(O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL4783291 OBDepict CH 3 O HN O O O S N O N + N O _ O IC50 = 280.0 nM 502.55 COc1ccccc1NC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL3360514 OBDepict O N H O O S N O N + N O _ O IC50 = 300.0 nM 416.42 O=C(NOC1CCCCO1)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL4743365 OBDepict O N H O O F S N O N + N O _ O IC50 = 320.0 nM 490.51 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccc(F)cc1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4762005 OBDepict O N H Cl O O S N O N + N O _ O IC50 = 330.0 nM 506.97 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccccc1Cl Homo sapiens CHEMBL4737005 single protein format
CHEMBL4787180 OBDepict O N H F O O S N O N + N O _ O IC50 = 350.0 nM 490.51 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccccc1F Homo sapiens CHEMBL4737005 single protein format
CHEMBL4763865 OBDepict CH 3 O O CH 3 HN O O O S N O N + N O _ O IC50 = 360.0 nM 532.58 COc1ccc(NC(=O)CCC(=O)OCCCCCCSc2ccc([N+](=O)[O-])c3nonc23)cc1OC Homo sapiens CHEMBL4737005 single protein format
CHEMBL4762497 OBDepict O N H O O H 3 C S N O N + N O _ O IC50 = 390.0 nM 486.55 Cc1ccc(NC(=O)CCC(=O)OCCCCCCSc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL3360516 OBDepict OH N H O S N O N + N O _ O IC50 = 410.0 nM 360.35 O=C(NCCO)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format
CHEMBL4739867 OBDepict CH 3 N CH 3 HN O O O S N O N + N O _ O IC50 = 440.0 nM 509.63 CCN(CC)CCCNC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4757338 OBDepict O N H CH 3 O O S N O N + N O _ O IC50 = 440.0 nM 486.55 Cc1ccccc1NC(=O)CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4751148 OBDepict O N H O O Cl F S N O N + N O _ O IC50 = 470.0 nM 524.96 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccc(F)c(Cl)c1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL4797735 OBDepict O N H O O S N O N + N O _ O IC50 = 700.0 nM 472.52 O=C(CCC(=O)OCCCCCCSc1ccc([N+](=O)[O-])c2nonc12)Nc1ccccc1 Homo sapiens CHEMBL4737005 single protein format
CHEMBL3360517 OBDepict CH 3 N CH 3 N H O S N O N + N O _ O IC50 = 750.0 nM 387.42 CN(C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL3378817 single protein format