TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T53510 Glutathione S-transferase A2 B4BMQ8 [(2R,3R,4Ar,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-8-(3-methylbut-2-enoxy)-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926808 C20H30O8 398.4 CC(=CCO[C@H]1C=C(C(=O)[C@H]2[C@H]1O[C@@]([C@](O2)(C)OC)(C)OC)COC(=O)C)C IC50 = 96300 nM Poor binder T53510 Glutathione S-transferase A2 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 T53510 Glutathione S-transferase A2 B7B5FX 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-isopropyl-3-oxo-butylsulfanyl)-ethylcarbamoyl]-butyric acid Investigative 44386040 C17H29N3O7S 419.5 CC(C)C(CC(=O)C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N IC50 = 66000 nM Poor binder T53510 Glutathione S-transferase A2 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 T53510 Glutathione S-transferase A2 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 = 66300 nM Poor binder T53510 Glutathione S-transferase A2 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 T53510 Glutathione S-transferase A2 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 = 94200 nM Poor binder T53510 Glutathione S-transferase A2 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 = 93000 nM Poor binder T53510 Glutathione S-transferase A2 BR2XV9 2-Amino-5-[[1-(carboxymethylamino)-3-(1,4-dioxo-1,4-dipropoxybutan-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Investigative 44386993 C20H33N3O10S 507.6 CCCOC(=O)CC(C(=O)OCCC)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N IC50 = 143300 nM Poor binder T53510 Glutathione S-transferase A2 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 = 178600 nM Poor binder T53510 Glutathione S-transferase A2 BUG4B6 [(2R,3R,4Ar,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-5-oxo-8-phenylmethoxy-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926806 C22H28O8 420.5 CC(=O)OCC1=C[C@@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)OCC3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T53510 Glutathione S-transferase A2 BWF46Z [(2R,3R,4Ar,8S,8aS)-2,3-dimethoxy-2,3-dimethyl-8-(naphthalen-2-ylmethoxy)-5-oxo-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl]methyl acetate Investigative 56926807 C26H30O8 470.5 CC(=O)OCC1=C[C@@H]([C@H]2[C@H](C1=O)O[C@@]([C@](O2)(C)OC)(C)OC)OCC3=CC4=CC=CC=C4C=C3 IC50 = 77600 nM Poor binder T53510 Glutathione S-transferase A2 BYM17Z 2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(1-methyl-3-oxo-pentylsulfanyl)-ethylcarbamoyl]-butyric acid Investigative 44385619 C16H27N3O7S 405.5 CCC(=O)CC(C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N IC50 = 90000 nM Poor binder T53510 Glutathione S-transferase A2 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