TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T21669 Glutathione S-transferase P B2U4OJ 7-(6-Hydroxyhexylsulfanyl)-2,1,3-benzoxadiazole-4-sulfonic acid Investigative 118724290 C12H16N2O5S2 332.4 C1=C(C2=NON=C2C(=C1)S(=O)(=O)O)SCCCCCCO IC50 ~ 100000 nM Poor binder T21669 Glutathione S-transferase P B4C5DH 4-[(6-Hydroxyhexyl)amino]-7-nitro-2,1,3-benzooxadiazole Investigative 17980079 C12H16N4O4 280.28 C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCO IC50 ~ 100000 nM Poor binder T21669 Glutathione S-transferase P B6C0OJ [(2R,3R,4Ar,8R,8aS)-2,3,8-trimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926708 C16H24O8 344.36 CC(=O)OCC1=C[C@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)OC IC50 ~ 100000 nM Poor binder T21669 Glutathione S-transferase P B82SKB [(2R,3R,4Ar,8R,8aS)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926707 C15H22O8 330.33 CC(=O)OCC1=C[C@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)O IC50 ~ 100000 nM Poor binder T21669 Glutathione S-transferase P B8NHB2 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(3-oxo-1-phenyl-butylsulfanyl)-ethylcarbamoyl]-butyric acid Investigative 44386041 C20H27N3O7S 453.5 CC(=O)CC(C1=CC=CC=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N IC50 = 155000 nM Poor binder T21669 Glutathione S-transferase P B9WHB4 [(2R,3R,4Ar,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-5-oxo-8-[(4-phenylphenyl)methoxy]-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926917 C28H32O8 496.5 CC(=O)OCC1=C[C@@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)OCC3=CC=C(C=C3)C4=CC=CC=C4 IC50 = 186700 nM Poor binder T21669 Glutathione S-transferase P BC76BY (6Ar,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-4,6a,10a,10b-tetrahydro-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-one Investigative 44597665 C16H24O7 328.36 C[C@@]1([C@](O[C@@H]2[C@@H](O1)[C@H]3C(=CC2=O)COC(O3)(C)C)(C)OC)OC IC50 ~ 100000 nM Poor binder T21669 Glutathione S-transferase P BF7B5W [(2R,3R,4Ar,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-5-oxo-8-[(E)-3-phenylprop-2-enoxy]-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926916 C24H30O8 446.5 CC(=O)OCC1=C[C@@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)OC/C=C/C3=CC=CC=C3 IC50 = 58000 nM Poor binder T21669 Glutathione S-transferase P BG5C6Y 5-[1-Bromo-meth-(E)-ylidene]-3-phenyl-dihydro-furan-2-one Investigative 10422367 C11H9BrO2 253.09 C\\1C(C(=O)O/C1=C/Br)C2=CC=CC=C2 Ki = 123900 nM Poor binder T21669 Glutathione S-transferase P BI4V9C [(2R,3R,4Ar,8S,8aS)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926804 C15H22O8 330.33 CC(=O)OCC1=C[C@@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)O IC50 = 82500 nM Poor binder T21669 Glutathione S-transferase P BKC51U 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(2-hydroxy-ethylsulfanyl)-ethylcarbamoyl]-butyric acid Investigative 14132141 C12H21N3O7S 351.38 C(CC(=O)NC(CSCCO)C(=O)NCC(=O)O)C(C(=O)O)N Ki = 187000 nM Poor binder T21669 Glutathione S-transferase P BPM2D6 [(2R,3R,4Ar,8S,8aS)-8-hexoxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926809 C21H34O8 414.5 CCCCCCO[C@H]1C=C(C(=O)[C@H]2[C@H]1O[C@@]([C@](O2)(C)OC)(C)OC)COC(=O)C IC50 = 52400 nM Poor binder T21669 Glutathione S-transferase P BRJ4G5 [(2R,3R,4Ar,8S,8aS)-8-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926915 C25H38O8 466.6 CC(=CCC/C(=C/CO[C@H]1C=C(C(=O)[C@H]2[C@H]1O[C@@]([C@](O2)(C)OC)(C)OC)COC(=O)C)/C)C IC50 = 179000 nM Poor binder T21669 Glutathione S-transferase P BS2LZ5 [(2R,3R,4Ar,8S,8aS)-2,3,8-trimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926805 C16H24O8 344.36 CC(=O)OCC1=C[C@@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)OC IC50 = 62700 nM Poor binder T21669 Glutathione S-transferase P BZ29JL [(2R,3R,4Ar,8R,8aS)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-7-yl]methyl acetate Investigative 56926704 C15H22O8 330.33 CC(=O)OCC1=CC(=O)[C@H]2[C@H]([C@@H]1O)O[C@@]([C@](O2)(C)OC)(C)OC IC50 ~ 100000 nM Poor binder T21669 Glutathione S-transferase P D0A1CM ELLAGIC ACID Investigative 5281855 C14H6O8 302.19 C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O IC50 = 77100 nM Poor binder