TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T46515 Isoleucyl-tRNA synthetase B08DSI 2-[(4-Hydroxy-3-methoxybenzoyl)amino]ethyl (2S)-2-amino-3-methylpentanoate Investigative 44386211 C16H24N2O5 324.37 CCC(C)[C@@H](C(=O)OCCNC(=O)C1=CC(=C(C=C1)O)OC)N IC50 = 64400 nM Poor binder T46515 Isoleucyl-tRNA synthetase B19UIH [(S)-2-Amino-3-(3H-imidazol-4-yl)-propionyl]-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-5-(4-phenyl-thiazol-2-yl)-tetrahydro-furan-2-ylmethyl ester Investigative 44349189 C20H23N5O7S2 509.6 C1=CC=C(C=C1)C2=CSC(=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC4=CN=CN4)N)O)O IC50 ~ 100000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B1VO7B [3-(4-Hydroxy-3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylpentanoate Investigative 135995968 C17H24N2O5 336.4 CCC(C)[C@@H](C(=O)OCC1CC(=NO1)C2=CC(=C(C=C2)O)OC)N IC50 = 79000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B3EUP6 (2S,3S)-2-Amino-N-[[(2R,3S,4R,5S)-5-[2-[6-(benzylamino)purin-9-yl]ethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-N-hydroxy-3-methylpentanamide Investigative 44384945 C25H35N7O5 513.6 CC[C@H](C)[C@@H](C(=O)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)O)O)O)N IC50 ~ 128000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B4V9EB [(2R,3S,4R,5S)-5-[2-[6-(Benzylamino)purin-9-yl]ethyl]-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate Investigative 44384821 C25H34N6O5 498.6 CC[C@H](C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4)O)O)N IC50 = 84000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B4XM8Q [(2R,3S,4R,5S)-5-[(6-Aminopurin-9-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate Investigative 44385414 C17H26N6O5 394.4 CC[C@H](C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CN2C=NC3=C(N=CN=C32)N)O)O)N IC50 ~ 128000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B5EA4Y ((S)-2-Amino-propionyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-5-(4-phenyl-thiazol-2-yl)-tetrahydro-furan-2-ylmethyl ester Investigative 44349104 C17H21N3O7S2 443.5 C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=NC(=CS2)C3=CC=CC=C3)O)O)N IC50 = 100000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B69MZH (2S,3S)-2-Amino-N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(5-phenyltetrazol-2-yl)ethyl]oxolan-2-yl]methyl]-N-hydroxy-3-methylpentanamide Investigative 44384778 C20H30N6O5 434.5 CC[C@H](C)[C@@H](C(=O)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2N=C(N=N2)C3=CC=CC=C3)O)O)O)N IC50 ~ 128000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B7J0GI L-Isoleucine 5'-adenosyl ester Investigative 44385960 C16H24N6O5 380.4 CC[C@H](C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)N IC50 = 183000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B7J3IN 2-[(3-Hydroxy-4-methoxybenzoyl)amino]ethyl (2S)-2-amino-3-methylpentanoate Investigative 44385851 C16H24N2O5 324.37 CCC(C)[C@@H](C(=O)OCCNC(=O)C1=CC(=C(C=C1)OC)O)N IC50 = 106000 nM Poor binder T46515 Isoleucyl-tRNA synthetase B7ZP4G [(2R,3S,4R,5S)-5-[2-(6-Aminopurin-9-yl)ethyl]-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate Investigative 44384617 C18H28N6O5 408.5 CC[C@H](C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2C=NC3=C(N=CN=C32)N)O)O)N IC50 ~ 128000 nM Poor binder T46515 Isoleucyl-tRNA synthetase BD56OI ((S)-2-Amino-3-phenyl-propionyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-5-(4-phenyl-thiazol-2-yl)-tetrahydro-furan-2-ylmethyl ester Investigative 44349092 C23H25N3O7S2 519.6 C1=CC=C(C=C1)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=NC(=CS3)C4=CC=CC=C4)O)O)N IC50 ~ 100000 nM Poor binder T46515 Isoleucyl-tRNA synthetase BE20MF [3-(3-Hydroxy-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-2-amino-3-methylpentanoate Investigative 44385230 C17H24N2O5 336.4 CCC(C)[C@@H](C(=O)OCC1CC(=NO1)C2=CC(=C(C=C2)OC)O)N IC50 = 57600 nM Poor binder T46515 Isoleucyl-tRNA synthetase BGK9N1 (2S,3S)-2-Amino-N-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-hydroxysulfamoyl]-3-methylpentanamide Investigative 46874938 C16H26N8O7S 474.5 CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)N(C[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)O)O)N IC50 = 132000 nM Poor binder T46515 Isoleucyl-tRNA synthetase BP92LX N-(5'-Adenosyl)-N-hydroxy-L-isoleucinamide Investigative 44384563 C16H25N7O5 395.41 CC[C@H](C)[C@@H](C(=O)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)O)N IC50 = 181000 nM Poor binder T46515 Isoleucyl-tRNA synthetase BS6ZG5 (2S,3S)-2-Amino-N-[[(2R,3S,4R,5S)-5-[2-(6-aminopurin-9-yl)ethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-N-hydroxy-3-methylpentanamide Investigative 44384623 C18H29N7O5 423.5 CC[C@H](C)[C@@H](C(=O)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2C=NC3=C(N=CN=C32)N)O)O)O)N IC50 ~ 128000 nM Poor binder T46515 Isoleucyl-tRNA synthetase BUWJ51 2-[[2-(3-Hydroxy-4-methoxyphenyl)acetyl]amino]ethyl (2S)-2-amino-3-methylpentanoate Investigative 44386110 C17H26N2O5 338.4 CCC(C)[C@@H](C(=O)OCCNC(=O)CC1=CC(=C(C=C1)OC)O)N IC50 = 56500 nM Poor binder T46515 Isoleucyl-tRNA synthetase BV1FL7 (2S,3S)-2-Amino-N-[[(2R,3S,4R,5S)-5-[(6-aminopurin-9-yl)methyl]-3,4-dihydroxyoxolan-2-yl]methyl]-N-hydroxy-3-methylpentanamide Investigative 44386149 C17H27N7O5 409.4 CC[C@H](C)[C@@H](C(=O)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)CN2C=NC3=C(N=CN=C32)N)O)O)O)N IC50 ~ 128000 nM Poor binder T46515 Isoleucyl-tRNA synthetase BV56NA [(4R)-2-(4-Hydroxy-3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl (2S)-2-amino-3-methylpentanoate Investigative 135995964 C17H24N2O5 336.4 CCC(C)[C@@H](C(=O)OC[C@H]1COC(=N1)C2=CC(=C(C=C2)O)OC)N IC50 = 50000 nM Poor binder T46515 Isoleucyl-tRNA synthetase BYK1H4 [(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-(5-phenyltetrazol-2-yl)ethyl]oxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate Investigative 44386065 C20H29N5O5 419.5 CC[C@H](C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCN2N=C(N=N2)C3=CC=CC=C3)O)O)N IC50 = 63600 nM Poor binder