TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T91940 NAD-dependent deacetylase sirtuin-5 D0E7PQ Vorinostat Approved 5311 C14H20N2O3 264.32 C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 D0Y3KG Valproate Approved 3121 C8H16O2 144.21 CCCC(CCC)C(=O)O IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 D0B7CH Phenylbutyrate Phase 2 4775 C10H12O2 164.2 C1=CC=C(C=C1)CCCC(=O)O IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 B08COV (2S)-4-Anilino-2-naphthalen-2-ylsulfanyl-4-oxobutanoic acid Investigative 137640903 C20H17NO3S 351.4 C1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)O)SC2=CC3=CC=CC=C3C=C2 IC50 = 157200 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 B1V7XZ Sirtinol Investigative 2827646 C26H22N2O2 394.5 CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2N=CC3=C(C=CC4=CC=CC=C43)O IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 B2FUQ6 (2S)-2-Naphthalen-2-ylsulfanyl-4-oxo-4-(3-phenylpropylamino)butanoic acid Investigative 137639921 C23H23NO3S 393.5 C1=CC=C(C=C1)CCCNC(=O)C[C@@H](C(=O)O)SC2=CC3=CC=CC=C3C=C2 IC50 = 72560 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 B2R9WV (2S)-4-(Butylamino)-2-naphthalen-2-ylsulfanyl-4-oxobutanoic acid Investigative 137661720 C18H21NO3S 331.4 CCCCNC(=O)C[C@@H](C(=O)O)SC1=CC2=CC=CC=C2C=C1 IC50 = 154000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 B3JM9T Nicotinamide Investigative 936 C6H6N2O 122.12 C1=CC(=CN=C1)C(=O)N IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 B7GK1V 4-[[(5S)-6-[[(2S)-6-Acetamido-1-amino-1-oxohexan-2-yl]amino]-5-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-oxohexyl]carbamothioylamino]butanoic acid Investigative 122184882 C29H52N8O8S 672.8 CC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCNC(=S)NCCCC(=O)O)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 B8YA7Z (2S)-4-(Benzylamino)-2-naphthalen-2-ylsulfanyl-4-oxobutanoic acid Investigative 137661177 C21H19NO3S 365.4 C1=CC=C(C=C1)CNC(=O)C[C@@H](C(=O)O)SC2=CC3=CC=CC=C3C=C2 IC50 = 124000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BA1D6U (5E)-5-[4-(Benzyloxy)benzylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione Investigative 7333748 C21H18N2O3S 378.4 C=CCN1C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=CC=C3)/C(=O)NC1=S IC50 = 67300 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BBA79Z Ethyl 3-[[(5S)-6-[[(2S)-6-acetamido-1-amino-1-oxohexan-2-yl]amino]-5-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-oxohexyl]carbamothioylamino]propanoate Investigative 122184884 C30H54N8O8S 686.9 CCOC(=O)CCNC(=S)NCCCC[C@@H](C(=O)N[C@@H](CCCCNC(=O)C)C(=O)N)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BCW4R6 Chembl4170094 Investigative 134820907 C26H26N6O3S 502.6 CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)COC3=CC=C(C=C3)NC(=O)C4=CN(N=C4)C)C IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BE3YW2 3-((2-Methoxynaphthalen-1-yl)methyl)-7-((pyridin-3-ylmethyl)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one Investigative 45168044 C28H26N4O2S 482.6 COC1=C(C2=CC=CC=C2C=C1)CN3C=NC4=C(C3=O)C5=C(S4)CC(CC5)NCC6=CN=CC=C6 IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BJD20T Chembl4128509 Investigative 145962411 C61H114N18O17S 1403.7 CCCCCCCCCCCCCNC(=O)CCCSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)N IC50 ~ 50000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BLD0F7 (2S)-4-[3-(Methylcarbamoyl)anilino]-2-naphthalen-2-ylsulfanyl-4-oxobutanoic acid Investigative 137655192 C22H20N2O4S 408.5 CNC(=O)C1=CC(=CC=C1)NC(=O)C[C@@H](C(=O)O)SC2=CC3=CC=CC=C3C=C2 IC50 = 90000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BMS49F 3-[(3,5-Dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,2-dihydroindol-2-ol Investigative 56674921 C15H10Br2INO2 522.96 C1=CC2=C(C=C1I)C(=CC3=CC(=C(C(=C3)Br)O)Br)C(N2)O IC50 = 97800 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BN8L2M 2-[[(5S)-6-[[(2S)-6-Acetamido-1-amino-1-oxohexan-2-yl]amino]-5-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-oxohexyl]carbamothioylamino]acetic acid Investigative 122184880 C27H48N8O8S 644.8 CC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](CCCCNC(=S)NCC(=O)O)NC(=O)[C@H](CCCCNC(=O)C)NC(=O)C IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BQV36U Chembl4295059 Investigative 145993578 C29H38N4O5S2 586.8 CCOC(=O)CCNC(=S)NCCCC[C@@H](C(=O)NC1CCSC2=CC=CC=C12)NC(=O)OCC3=CC=CC=C3 IC50 ~ 167000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 BT57UJ 1-Ethyl-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidenepyrimidin-4-one Investigative 135469837 C15H13N3O2S 299.3 CCN1C(=C(C(=O)NC1=S)/C=C/2\\C=NC3=CC=CC=C32)O IC50 = 55900 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 D09SUO splitomicin Investigative 5269 C13H10O2 198.22 C1CC(=O)OC2=C1C3=CC=CC=C3C=C2 IC50 ~ 100000 nM Poor binder T91940 NAD-dependent deacetylase sirtuin-5 D0E3NT AGK2 Investigative 2130404 C23H13Cl2N3O2 434.3 C1=CC2=C(C=CC=N2)C(=C1)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)/C#N IC50 ~ 100000 nM Poor binder