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P78417 | GSTO1_HUMAN | Glutathione S-transferase omega-1 (GSTO1)

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 ]

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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
CHEMBL4593975 OBDepict CH 2 N O S N O N CH 3 OH IC50 = 0.22 nM 341.39 C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2O)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4513682 OBDepict CH 2 N O S N O N CH 3 OH Cl IC50 = 0.32 nM 375.84 C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(Cl)cc2O)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4463748 OBDepict Cl N O S N O N CH 3 OH IC50 = 5.6 nM 363.83 Cc1cc(CN(C(=O)CCl)c2nc(-c3ccccc3O)cs2)on1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4443686 OBDepict CH 2 N O S N O N CH 3 F F F IC50 = 25.0 nM 393.39 C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL1502738 OBDepict Cl N O N H + N O _ O O F F F IC50 = 28.0 nM 367.71 O=C(CCl)N(CCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL4199255 single protein format
CHEMBL4529442 OBDepict H 2 C N O S N NH O O IC50 = 30.0 nM 343.41 C=CC(=O)N(CC(=O)NC1COC1)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4445050 OBDepict Cl N H O S Cl N H O O O H 3 C IC50 = 30.0 nM 341.22 COCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL4210652 OBDepict Cl N H O S Cl N O O H 3 C H 3 C IC50 = 31.0 nM 311.19 CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4199255 single protein format
CHEMBL4215608 OBDepict Cl N O N HN O F IC50 = 35.0 nM 403.89 O=C(NC1CCCCC1)C(c1ccccn1)N(C(=O)CCl)c1cccc(F)c1 Homo sapiens CHEMBL4199259 cell-based format
CHEMBL4203414 OBDepict CH 3 O CH 3 CH 3 O O OH O IC50 = 40.0 nM 460.57 CC(C)CCCC(C)CCOc1ccc2c(ccc3oc(C4(O)C=CC(=O)C=C4)cc(=O)c32)c1 Homo sapiens CHEMBL4199258 single protein format
CHEMBL4568270 OBDepict CH 2 N O S N O N CH 3 OH F IC50 = 40.0 nM 359.38 C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(F)cc2O)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4454963 OBDepict CH 2 N O S N O N CH 3 IC50 = 51.0 nM 325.39 C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL1486332 OBDepict Cl N O HN O N F IC50 = 54.0 nM 403.89 O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(F)cc1 Homo sapiens CHEMBL4199255 single protein format
CHEMBL4458115 OBDepict Cl N H O S N O O H 3 C H 3 C F F F IC50 = 60.0 nM 344.74 CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1C(F)(F)F Homo sapiens CHEMBL4404678 assay format
CHEMBL4454026 OBDepict Cl N H O S Cl N H O O H 3 C CH 3 IC50 = 70.0 nM 325.22 CC(C)NS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL4443397 OBDepict CH 2 N O S N N H O IC50 = 80.0 nM 369.49 C=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4458365 OBDepict Cl N H O S Cl N O O CH 3 O CH 3 IC50 = 80.0 nM 355.24 COCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL4437777 OBDepict Cl N H O S Cl N H O O O H 3 C IC50 = 110.0 nM 355.24 COCCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL1598561 OBDepict Cl N O O O CH 3 CH 3 O CH 3 H 3 C IC50 = 120.0 nM 496.05 COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC Homo sapiens CHEMBL4199258 single protein format
CHEMBL4588856 OBDepict Cl N H O S I N O O H 3 C H 3 C IC50 = 130.0 nM 402.64 CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1I Homo sapiens CHEMBL4404678 assay format
CHEMBL4435063 OBDepict CH 2 N O S N O O CH 3 CH 3 CH 3 IC50 = 150.0 nM 344.44 C=CC(=O)N(CC(=O)OC(C)(C)C)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4475326 OBDepict Cl N H O S Br N O O H 3 C H 3 C IC50 = 150.0 nM 355.64 CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Br Homo sapiens CHEMBL4404678 assay format
CHEMBL4445668 OBDepict Cl N H O S Cl N O O O IC50 = 160.0 nM 353.23 O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 Homo sapiens CHEMBL4404678 assay format
CHEMBL4449225 OBDepict Cl N H O S Cl N O O CH 3 O CH 3 IC50 = 160.0 nM 369.27 COCCCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL4463910 OBDepict CH 2 N H O S N Cl IC50 = 170.0 nM 264.74 C=CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4465385 OBDepict HO N S H 3 C O O Cl N H O Cl IC50 = 180.0 nM 341.22 CN(CCO)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL4525870 OBDepict CH 2 N O S O N CH 3 OH IC50 = 190.0 nM 340.4 C=CC(=O)N(Cc1cc(C)no1)c1cc(-c2ccccc2O)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4520358 OBDepict Cl N H O S Cl NH O O O IC50 = 200.0 nM 367.25 O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1 Homo sapiens CHEMBL4404678 assay format
CHEMBL4544892 OBDepict Cl N H O S O N O O H 3 C H 3 C F F F IC50 = 210.0 nM 360.74 CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1OC(F)(F)F Homo sapiens CHEMBL4404678 assay format
CHEMBL4462744 OBDepict CH 3 O O NH S O H 2 C IC50 = 220.0 nM 301.37 C=CC(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC Homo sapiens CHEMBL4401249 single protein format
CHEMBL4455136 OBDepict H 2 C N O S N N H O N O IC50 = 230.0 nM 400.5 C=CC(=O)N(CC(=O)NCCN1CCOCC1)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL3781794 OBDepict O HN N H S O O F O IC50 = 250.0 nM 416.47 O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cc(C2CO2)ccc1F Homo sapiens CHEMBL3784289 cell-based format
CHEMBL4589666 OBDepict Cl N H O S N O O O F F F IC50 = 250.0 nM 386.78 O=C(CCl)Nc1ccc(C(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1 Homo sapiens CHEMBL4404678 assay format
CHEMBL4459484 OBDepict H 3 C O O S N N H O CH 2 IC50 = 270.0 nM 302.36 C=CC(=O)Nc1nc(-c2ccccc2)c(C(=O)OCC)s1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4473088 OBDepict H 2 C NH O S N F F F IC50 = 300.0 nM 298.29 C=CC(=O)Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4441594 OBDepict Cl N H O S Cl HN O O O IC50 = 340.0 nM 353.23 O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NC2CCOC2)c1 Homo sapiens CHEMBL4404678 assay format
CHEMBL3780419 OBDepict O HN N H S O O F O H 3 C CH 3 H 3 C CH 3 IC50 = 350.0 nM 420.51 CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C2CO2)ccc1F Homo sapiens CHEMBL3784289 cell-based format
CHEMBL4548287 OBDepict CH 2 N O S N O N CH 3 O H 3 C IC50 = 360.0 nM 355.42 C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2OC)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4444587 OBDepict CH 3 O O N S N O H 2 C IC50 = 370.0 nM 302.36 C=CC(=O)N(CC(=O)OC)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4437360 OBDepict CH 2 N H O S N IC50 = 400.0 nM 280.35 C=CC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4214871 OBDepict CH 3 N S O CH 3 S N O H 3 C H 3 C IC50 < 400.0 nM 264.42 CCN(CC)C(=O)SSC(=O)N(CC)CC Homo sapiens CHEMBL4199255 single protein format
CHEMBL4210652 OBDepict Cl N H O S Cl N O O H 3 C H 3 C Ki = 440.0 nM 311.19 CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404680 assay format
CHEMBL4464480 OBDepict CH 2 N H O S N IC50 = 470.0 nM 230.29 C=CC(=O)Nc1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4572743 OBDepict CH 2 N O S N N O O IC50 = 530.0 nM 357.44 C=CC(=O)N(CC(=O)N1CCOCC1)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4555732 OBDepict CH 3 O O N S N O H 2 C IC50 = 570.0 nM 316.38 C=CC(=O)N(CC(=O)OCC)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4439904 OBDepict Cl N H O S Cl N H O O H 3 C IC50 = 580.0 nM 297.16 CNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL4457020 OBDepict H 2 C NH O S N Cl IC50 = 600.0 nM 264.74 C=CC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4589666 OBDepict Cl N H O S N O O O F F F Ki = 610.0 nM 386.78 O=C(CCl)Nc1ccc(C(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1 Homo sapiens CHEMBL4404680 assay format
CHEMBL4581553 OBDepict HO N H S O O Cl N H O Cl IC50 = 700.0 nM 327.19 O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NCCO)c1 Homo sapiens CHEMBL4404678 assay format
CHEMBL4476168 OBDepict Cl N H O S N O O H 3 C H 3 C IC50 = 710.0 nM 352.84 CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1-c1ccccc1 Homo sapiens CHEMBL4404678 assay format
CHEMBL4551138 OBDepict CH 2 N O S N IC50 = 720.0 nM 320.42 C=CC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4444173 OBDepict CH 2 N O S N N IC50 = 740.0 nM 321.4 C=CC(=O)N(Cc1cccnc1)c1nc(-c2ccccc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4554461 OBDepict Cl S N O O H 3 C CH 3 S O O F IC50 = 800.0 nM 315.78 CN(C)S(=O)(=O)c1cc(CS(=O)(=O)F)ccc1Cl Homo sapiens CHEMBL4404678 assay format
CHEMBL4585016 OBDepict CH 2 N H O S N H 3 C IC50 = 810.0 nM 244.32 C=CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4531019 OBDepict CH 2 N H O S N OH IC50 = 860.0 nM 246.29 C=CC(=O)Nc1nc(-c2ccccc2O)cs1 Homo sapiens CHEMBL4401249 single protein format
CHEMBL4524682 OBDepict CH 2 N H O S N Cl IC50 = 880.0 nM 264.74 C=CC(=O)Nc1nc(-c2ccccc2Cl)cs1 Homo sapiens CHEMBL4401249 single protein format