TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T12005 Coronavirus Main proteinase D02UOE Miltirone Terminated 160142 C19H22O2 282.4 CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O IC50 = 60200 nM Poor binder T12005 Coronavirus Main proteinase B0ZT9K 2-[4-(Dimethoxymethyl)-6-hydroxy-pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide Investigative 135411086 C16H16F3N3O4S 403.4 COC(C1=CC(=O)NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(F)(F)F)OC IC50 = 200000 nM Poor binder T12005 Coronavirus Main proteinase B1HWB0 2-[4-[2-[(2-Chlorophenoxy)methyl]thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(4-isopropylphenyl)acetamide Investigative 2744870 C25H23ClN4O2S2 511.1 CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CSC(=N3)COC4=CC=CC=C4Cl IC50 = 200000 nM Poor binder T12005 Coronavirus Main proteinase B2ESP0 N-(4-Acetylphenyl)-2-[[5-cyano-4-(3-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide Investigative 136106200 C24H22N4O4S 462.5 CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=C(C(=O)N2)C#N)C3=CC(=CC=C3)OC IC50 = 60000 nM Poor binder T12005 Coronavirus Main proteinase B31EOU N-(5-Chloro-2-phenoxyphenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide Investigative 135408428 C19H16ClN3O3S 401.9 CC1=CC(=O)NC(=N1)SCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3 IC50 = 100000 nM Poor binder T12005 Coronavirus Main proteinase B48NHS N-((3S,6R)-6-((S,E)-4-Ethoxycarbonyl-1-((S)-2-oxopyrrolidin-3-YL)but-3-EN-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-EN-3-YL)-5-methylisoxazole-3-carboxamide Investigative 10062715 C29H42N4O7 558.7 CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)C2=NOC(=C2)C IC50 = 70000 nM Poor binder T12005 Coronavirus Main proteinase B4IPS1 Cryptotanshinone Investigative 160254 C19H20O3 296.4 C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C IC50 = 87600 nM Poor binder T12005 Coronavirus Main proteinase B50VHK 2-[(5-Cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Investigative 135411087 C20H13F3N4O2S 430.4 C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C#N IC50 = 200000 nM Poor binder T12005 Coronavirus Main proteinase B5MXA9 Tanshinone II-b Investigative 318797 C19H18O4 310.3 CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO IC50 = 52000 nM Poor binder T12005 Coronavirus Main proteinase B9ZHU8 1-Benzyl-5-iodoindoline-2,3-dione Investigative 10642441 C15H10INO2 363.15 C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)I)C(=O)C2=O IC50 = 50000 nM Poor binder T12005 Coronavirus Main proteinase BAH5D0 1-Butyl-5-iodoindoline-2,3-dione Investigative 11515424 C12H12INO2 329.13 CCCCN1C2=C(C=C(C=C2)I)C(=O)C1=O Ki = 66000 nM Poor binder T12005 Coronavirus Main proteinase BIYH93 N-[4-(4-Chlorophenoxy)phenyl]-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetamide Investigative 135410963 C19H16ClN3O3S 401.9 CC1=CC(=O)NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl IC50 = 200000 nM Poor binder T12005 Coronavirus Main proteinase BS06BK N-(4-Acetylphenyl)-2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide Investigative 135411084 C22H18N4O4S 434.5 CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C#N)C3=CC(=CC=C3)OC IC50 = 60000 nM Poor binder T12005 Coronavirus Main proteinase BTD50B N-(4-Butyl-2-methylphenyl)-2-[(5-cyano-4-cyclohexyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide Investigative 135419065 C24H30N4O2S 438.6 CCCCC1=CC(=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C#N)C3CCCCC3)C IC50 = 200000 nM Poor binder T12005 Coronavirus Main proteinase BTQP38 1-Methyl-2,3-dioxoindoline-5-carboxamide Investigative 515954 C10H8N2O3 204.18 CN1C2=C(C=C(C=C2)C(=O)N)C(=O)C1=O IC50 = 71000 nM Poor binder T12005 Coronavirus Main proteinase BUE4O3 Tanshinone IIA Investigative 164676 C19H18O3 294.3 CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C IC50 = 89100 nM Poor binder