TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T59045 GABA transaminase B0L9WK Gastrodin Investigative 115067 C13H18O7 286.28 C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O IC50 > 1000000 nM Non binder T59045 GABA transaminase B2LW4Q 5-Amino-cyclohex-3-enecarboxylic acid Investigative 10419269 C7H11NO2 141.17 C1C=C[C@H](C[C@H]1C(=O)O)N Ki = 2300000 nM Non binder T59045 GABA transaminase B3M0NP 2-(3-Aminophenyl)acetic acid hydrochloride Investigative 45263726 C8H10ClNO2 187.62 C1=CC(=CC(=C1)N)CC(=O)O.Cl IC50 > 5000000 nM Non binder T59045 GABA transaminase B3T2BX 4-(Aminomethyl)-2,6-difluorophenol Investigative 10419448 C7H7F2NO 159.13 C1=C(C=C(C(=C1F)O)F)CN Ki = 11000000 nM Non binder T59045 GABA transaminase B5QL2U 2-(Aminomethyl)benzoic acid hydrochloride Investigative 45263715 C8H10ClNO2 187.62 C1=CC=C(C(=C1)CN)C(=O)O.Cl IC50 > 5000000 nM Non binder T59045 GABA transaminase B7RKX8 3-(Aminomethyl)benzoic acid hydrochloride Investigative 16218772 C8H10ClNO2 187.62 C1=CC(=CC(=C1)C(=O)O)CN.Cl IC50 > 5000000 nM Non binder T59045 GABA transaminase BAF05K (1S,2R)-2-Amino-cyclohex-3-enecarboxylic acid Investigative 7016465 C7H11NO2 141.17 C1C[C@@H]([C@@H](C=C1)N)C(=O)O Ki = 13000000 nM Non binder T59045 GABA transaminase BB9N2J Helicide Investigative 12896796 C13H16O7 284.26 C1=CC(=CC=C1C=O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O IC50 > 1000000 nM Non binder T59045 GABA transaminase BEQ78D 2-(Aminomethyl)phenylacetic acid hydrochloride Investigative 5743497 C9H12ClNO2 201.65 C1=CC=C(C(=C1)CC(=O)O)CN.Cl IC50 > 5000000 nM Non binder T59045 GABA transaminase BI8D0M 4-Aminobenzoic acid Investigative 978 C7H7NO2 137.14 C1=CC(=CC=C1C(=O)O)N IC50 > 1000000 nM Non binder T59045 GABA transaminase BJ89ON 3-Aminobenzoic acid Investigative 7419 C7H7NO2 137.14 C1=CC(=CC(=C1)N)C(=O)O IC50 > 5000000 nM Non binder T59045 GABA transaminase BM3A1J 4-Hydroxybenzyl alcohol Investigative 125 C7H8O2 124.14 C1=CC(=CC=C1CO)O IC50 > 1000000 nM Non binder T59045 GABA transaminase BSB15U (3-Aminomethyl-phenyl)-acetic acid; hydrochloride Investigative 45263723 C9H12ClNO2 201.65 C1=CC(=CC(=C1)CN)CC(=O)O.Cl IC50 > 5000000 nM Non binder T59045 GABA transaminase BW81UM 4-Hydroxybenzoic acid Investigative 135 C7H6O3 138.12 C1=CC(=CC=C1C(=O)O)O IC50 > 1000000 nM Non binder T59045 GABA transaminase BWZV61 4-Hydroxybenzaldehyde oxime Investigative 135408704; 135580601 C7H7NO2 137.14 C1=CC(=CC=C1/C=N/O)O IC50 > 1000000 nM Non binder T59045 GABA transaminase BXI09A Anthranilic acid Investigative 227 C7H7NO2 137.14 C1=CC=C(C(=C1)C(=O)O)N IC50 > 5000000 nM Non binder T59045 GABA transaminase BXS1Y2 4-Methoxybenzaldehyde Investigative 31244 C8H8O2 136.15 COC1=CC=C(C=C1)C=O IC50 > 1000000 nM Non binder T59045 GABA transaminase BYQ8C6 3-(Aminomethyl)-2,6-difluorophenol Investigative 10351955; 44335610 C7H7F2NO 159.13 C1=CC(=C(C(=C1CN)F)O)F Ki = 6300000 nM Non binder T59045 GABA transaminase D00YEV BAICALEIN Investigative 5281605 C15H10O5 270.24 C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O IC50 = 12800000 nM Non binder