TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T78198 Purine nucleoside phosphorylase D0B5MP Aciclovir Approved 135398513 C8H11N5O3 225.2 C1=NC2=C(N1COCCO)N=C(NC2=O)N Ki = 180000 nM Poor binder T78198 Purine nucleoside phosphorylase B0SPI6 8-Amino-3-benzyl-1,9-dihydro-purine-6-thione Investigative 44282426 C12H11N5S 257.32 C1=CC=C(C=C1)CN2C=NC(=S)C3=C2N=C(N3)N IC50 = 131000 nM Poor binder T78198 Purine nucleoside phosphorylase B1N5PB 3-Benzylhypoxanthine Investigative 250702 C12H10N4O 226.23 C1=CC=C(C=C1)CN2C=NC(=O)C3=C2N=CN3 IC50 = 112000 nM Poor binder T78198 Purine nucleoside phosphorylase B2JQG9 2,5-Diaminothiazolo(5,4-d)pyrimidin-7(6H)-one Investigative 147047 C5H5N5OS 183.19 C12=C(N=C(NC1=O)N)SC(=N2)N IC50 = 142500 nM Poor binder T78198 Purine nucleoside phosphorylase B3R0JU 8-Amino-3-benzyl-2-methylthio-9H-purin-6(3H)-one Investigative 15741996 C13H13N5OS 287.34 CSC1=NC(=O)C2=C(N1CC3=CC=CC=C3)N=C(N2)N IC50 ~ 75000 nM Poor binder T78198 Purine nucleoside phosphorylase B5V8JS 9-(5-Phosphonopentyl)Guanine Investigative 135410344 C10H16N5O4P 301.24 C1=NC2=C(N1CCCCCP(=O)(O)O)N=C(NC2=O)N Ki = 170000 nM Poor binder T78198 Purine nucleoside phosphorylase B67GDN Dezaguanine Investigative 55710 C6H6N4O 150.14 C1=C(NC(=O)C2=C1NC=N2)N IC50 = 77000 nM Poor binder T78198 Purine nucleoside phosphorylase B6C5BH beta-(3-Chlorophenyl)-2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-propanoic acid methyl ester Investigative 136054568 C16H15ClN4O3 346.77 COC(=O)CC(C1=CC(=CC=C1)Cl)C2=CNC3=C2N=C(NC3=O)N IC50 = 80000 nM Poor binder T78198 Purine nucleoside phosphorylase BJG7W5 9-(3,3-Dimethyl-pentyl)-1,9-dihydro-purin-6-one Investigative 136074301 C12H18N4O 234.3 CCC(C)(C)CCN1C=NC2=C1N=CNC2=O Ki = 110000 nM Poor binder T78198 Purine nucleoside phosphorylase BNB56U 3-Benzyl-7H-purin-3-ium-6-amine;chloride Investigative 15741979 C12H12ClN5 261.709 C1=CC=C(C=C1)C[N+]2=C3C(=C(N=C2)N)NC=N3.[Cl-] IC50 = 95000 nM Poor binder T78198 Purine nucleoside phosphorylase BOM1J8 5-Amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-1,2,4-triazole-3-carboximidamide Investigative 46875976 C8H14N6O3 242.24 C[C@@H]1[C@H]([C@H](C(O1)N2C(=NC(=N2)C(=N)N)N)O)O Ki = 80000 nM Poor binder T78198 Purine nucleoside phosphorylase BT24QE 1-[(2-Methylthiazol-4-yl)methyl]-1H-benzimidazole-4,7-dione Investigative 493150 C12H9N3O2S 259.29 CC1=NC(=CS1)CN2C=NC3=C2C(=O)C=CC3=O Ki = 100000 nM Poor binder T78198 Purine nucleoside phosphorylase BT2U6W 2-Amino-3-benzyl-8-formylamino-9H-purin-6(3H)-one Investigative 15741997 C13H12N6O2 284.27 C1=CC=C(C=C1)CN2C3=C(C(=O)N=C2N)NC(=N3)NC=O IC50 ~ 150000 nM Poor binder T78198 Purine nucleoside phosphorylase BUE02M [(2R,3S,4R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate Investigative 135976355 C17H16FN5O8S 469.4 C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C3N=C(NC4=O)N)O)O)S(=O)(=O)F Ki = 93000 nM Poor binder T78198 Purine nucleoside phosphorylase BWZP64 3-[(2S,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one Investigative 90663688 C10H12N4O5 268.23 C1=NC(=O)C2C(=N1)C(=NN2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O Ki = 100000 nM Poor binder