TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T39321 Glyceraldehyde-3-phosphate dehydrogenase D04XGT Benznidazole Approved 31593 C12H12N4O3 260.25 C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-] IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase D05EAM Pentamidine Approved 4735 C19H24N4O2 340.4 C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase D06IAR Adenosine Approved 60961 C10H13N5O4 267.24 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N IC50 = 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B0FVZ2 3-(1,3-Benzodioxole-5-yl)-6-[(1H-pyrrole-2-ylmethylene)amino]-2H-1-benzopyran-2-one Investigative 135476505 C21H14N2O4 358.3 C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C=CC(=C4)N=CC5=CC=CN5)OC3=O IC50 = 56234.13 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B0Y8KX N-(3-Hydroxy-1-naphthylmethyl)-2'-(3,5-dimethoxybenzoylamino)-2'-deoxyadenosine Investigative 11966381 C30H30N6O7 586.6 COC1=CC(=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC(=CC6=CC=CC=C65)O)CO)O)OC IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B17EXZ 16-Methyl-3,11,14-trioxatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),5,8,16-pentaene-4,15-dione Investigative 44309997 C15H10O5 270.24 CC1=C2C(COC3=C2C4=C(C=C3)C=CC(=O)O4)OC1=O IC50 = 74131.02 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B2J9PW ((2R,3S,4R,5R)-3-Hydroxy-4-(3-methoxybenzamido)-5-(6-(naphthalen-1-ylmethylamino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate Investigative 11512859 C29H29N6O8P 620.5 COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)COP(=O)(O)O)O IC50 ~ 100000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B3TFD9 N-Naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine Investigative 446186 C30H30N6O6 570.6 COC1=CC(=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)CO)O)OC IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B3Y9LH N-(1-Naphthylmethyl)-2'-(3,4-dimethoxybenzoylamino)-2'-deoxyadenosine Investigative 11028195 C30H30N6O6 570.6 COC1=C(C=C(C=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)CO)O)OC IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B4WMK5 N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-2-ylmethyl)-amino]-purin-9-ylmethyl}-tetrahydro-furan-3-yl)-3-methoxy-benzamide Investigative 44306171 C30H30N6O5 554.6 COC1=CC=CC(=C1)C(=O)N[C@H]2[C@H](C(OC2CN3C=NC4=C(N=CN=C43)NCC5=CC6=CC=CC=C6C=C5)CO)O IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B5B4TY N-(1-Naphthylmethyl)-2'-(3,5-dichlorobenzoylamino)-2'-deoxyadenosine Investigative 10348211 C28H24Cl2N6O4 579.4 C1=CC=C2C(=C1)C=CC=C2CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC(=CC(=C6)Cl)Cl IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B5G2RT 7-Hydroxy-8-[(2R,3R)-3-prop-1-en-2-yloxiran-2-yl]chromen-2-one Investigative 44309844 C14H12O4 244.24 CC(=C)[C@@H]1[C@H](O1)C2=C(C=CC3=C2OC(=O)C=C3)O IC50 = 128824.96 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B5JTQ4 N-(1-Naphthylmethyl)-2'-(3,5-dihydroxybenzoylamino)-2'-deoxyadenosine Investigative 10940514 C28H26N6O6 542.5 C1=CC=C2C(=C1)C=CC=C2CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC(=CC(=C6)O)O IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B5PEB0 3-(1,3-Benzodioxole-5-yl)-6-[(2-furylmethylene)amino]-2H-1-benzopyran-2-one Investigative 44309822 C21H13NO5 359.3 C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C=CC(=C4)N=CC5=CC=CO5)OC3=O IC50 = 56234.13 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B5SH8J 3-(1,3-Benzodioxole-5-yl)-6-acetoxy-2H-1-benzopyran-2-one Investigative 44310180 C18H12O6 324.3 CC(=O)OC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CC4=C(C=C3)OCO4 IC50 = 64565.42 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B6W1AU 3,5-Dichloro-N-(4-hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-2-ylmethyl)-amino]-purin-9-ylmethyl}-tetrahydro-furan-3-yl)-benzamide Investigative 44306177 C29H26Cl2N6O4 593.5 C1=CC=C2C=C(C=CC2=C1)CNC3=C4C(=NC=N3)N(C=N4)CC5[C@H]([C@H](C(O5)CO)O)NC(=O)C6=CC(=CC(=C6)Cl)Cl IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B70AYU 6-(1,1-Dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-G]chromen-7-one Investigative 5287846 C19H22O4 314.4 CC(C)(C=C)C1=CC2=CC3=C(C=C2OC1=O)O[C@@H](C3)C(C)(C)O IC50 = 54954.09 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B72TMJ 7-Hydroxy-3-(1,1-dimethylprop-2-enyl)coumarin Investigative 5363192 C14H14O3 230.26 CC(C)(C=C)C1=CC2=C(C=C(C=C2)O)OC1=O IC50 = 162181.01 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B73TAE N-((2R,3R,4S,5R)-4-Hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-1-ylmethyl)-amino]-purin-9-yl}-tetrahydro-furan-3-yl)-3-methoxy-benzamide Investigative 11753045 C29H28N6O5 540.6 COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)CO)O IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B7TO8K Ammirin Investigative 759292 C14H12O3 228.24 CC(=C)[C@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3 IC50 = 144543.98 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase B8NV0J (8S)-5-Hydroxy-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one Investigative 44310181 C14H12O4 244.24 CC(=C)[C@@H]1CC2=C(O1)C=C(C3=C2OC(=O)C=C3)O IC50 = 190546.07 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BA4IQ1 N-(3-Methoxy-1-naphthylmethyl)-2'-(3-methoxybenzoylamino)-2'-deoxyadenosine Investigative 11731457 C30H30N6O6 570.6 COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC(=CC6=CC=CC=C65)OC)CO)O IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BBPX82 N-(4-Hydroxy-5-hydroxymethyl-2-{6-[(naphthalen-2-ylmethyl)-amino]-purin-9-ylmethyl}-tetrahydro-furan-3-yl)-3,5-dimethoxy-benzamide Investigative 44306170 C31H32N6O6 584.6 COC1=CC(=CC(=C1)C(=O)N[C@H]2[C@H](C(OC2CN3C=NC4=C(N=CN=C43)NCC5=CC6=CC=CC=C6C=C5)CO)O)OC IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BBW21Q 2h-1-Benzopyran-2-one,6-(acetyloxy)-3-phenyl- Investigative 44310158 C17H12O4 280.27 CC(=O)OC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CC=CC=C3 IC50 = 123026.88 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BEL3R1 2'-[(3-Chlorobenzoyl)amino]-2'-deoxyadenosine Investigative 10386525 C17H17ClN6O4 404.8 C1=CC(=CC(=C1)Cl)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO)O IC50 = 200000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BG1PO2 N-(3-Methoxy-1-naphthylmethyl)-2'-(3,5-dimethoxybenzoylamino)-2'-deoxyadenosine Investigative 11814031 C31H32N6O7 600.6 COC1=CC2=CC=CC=C2C(=C1)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC(=CC(=C6)OC)OC IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BGFI04 2'-[(Biphenyl-4-ylcarbonyl)amino]-2'-deoxyadenosine Investigative 10072244 C23H22N6O4 446.5 C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)N)CO)O IC50 = 200000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BGP5U1 Xanthyletin Investigative 65188 C14H12O3 228.24 CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C IC50 = 194984.46 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BI3Z8D N-(4-Methoxy-1-naphthylmethyl)-2'-(3-methoxybenzoylamino)-2'-deoxyadenosine Investigative 10393235 C30H30N6O6 570.6 COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=C(C6=CC=CC=C56)OC)CO)O IC50 = 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BJ5ZI2 N-(3-Hydroxy-1-naphthylmethyl)-2'-(3-chlorobenzoylamino)-2'-deoxyadenosine Investigative 11124571 C28H25ClN6O5 561 C1=CC=C2C(=C1)C=C(C=C2CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC(=CC=C6)Cl)O IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BKAN54 (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-[6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolane-3,4-diol Investigative 10476477 C21H21N5O4 407.4 C1=CC=C2C(=C1)C=CC=C2CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O IC50 = 150000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BMV84Y N-(3-Hydroxy-1-naphthylmethyl)-2'-(3-methoxybenzoylamino)-2'-deoxyadenosine Investigative 11813682 C29H28N6O6 556.6 COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC(=CC6=CC=CC=C65)O)CO)O IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BMX4Q1 3-(m-Hydroxyphenyl)coumarin Investigative 44310159 C15H10O3 238.24 C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC(=CC=C3)O IC50 = 67608.3 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BN31IQ N-(1-Naphthylmethyl)-2'-(3,5-diacetoxybenzoylamino)-2'-deoxyadenosine Investigative 11028555 C32H30N6O8 626.6 CC(=O)OC1=CC(=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC6=CC=CC=C65)CO)O)OC(=O)C IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BOKT10 N-Benzyl-2'-[(3-methoxybenzoyl)amino]-2'-deoxyadenosine Investigative 10368295 C25H26N6O5 490.5 COC1=CC=CC(=C1)C(=O)N[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)NCC5=CC=CC=C5)CO)O IC50 = 159000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BOU9V2 N-(3-Hydroxy-1-naphthylmethyl)-2'-(3,5-dichlorobenzoylamino)-2'-deoxyadenosine Investigative 10974017 C28H24Cl2N6O5 595.4 C1=CC=C2C(=C1)C=C(C=C2CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC(=CC(=C6)Cl)Cl)O IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BUQH01 6,4'-Diacetoxy-3-phenylcoumarin Investigative 44309810 C19H14O6 338.3 CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=CC(=C3)OC(=O)C)OC2=O IC50 = 52480.75 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BVG18W Seselin Investigative 68229 C14H12O3 228.24 CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C IC50 = 123026.88 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BZ20MV N-(3-Methoxy-1-naphthylmethyl)-2'-(3,5-dichlorobenzoylamino)-2'-deoxyadenosine Investigative 11114718 C29H26Cl2N6O5 609.5 COC1=CC2=CC=CC=C2C(=C1)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)NC(=O)C6=CC(=CC(=C6)Cl)Cl IC50 ~ 50000 nM Poor binder T39321 Glyceraldehyde-3-phosphate dehydrogenase BZ5K4R [3-(3-Methoxyphenyl)-2-oxochromen-6-yl] acetate Investigative 44309784 C18H14O5 310.3 CC(=O)OC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CC(=CC=C3)OC IC50 = 85113.8 nM Poor binder