TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T42881 Cytomegalovirus Protease B0VU4Y (3As,6S,6aR)-6-Methyl-4-methylcarbamoyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 493458 C17H21N3O4 331.4 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)NC IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease B1EGN4 4-(4-Methoxy-benzoyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44296322 C23H24N2O5 408.4 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C4=CC=C(C=C4)OC IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease B2KU4L Benzyl (3aS,6S,6aR)-4-dimethoxyphosphoryl-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 490599 C17H23N2O6P 382.3 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)P(=O)(OC)OC IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease B2R1KP 4-Formyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44296321 C16H18N2O4 302.32 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C=O IC50 = 398000 nM Non binder T42881 Cytomegalovirus Protease B3I9XY (3As,6S,6aR)-6-Methyl-5-oxo-4-thiazol-2-yl-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 493461 C18H19N3O3S 357.4 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C4=NC=CS4 IC50 ~ 500000 nM Non binder T42881 Cytomegalovirus Protease B3RV7G 4-Acetyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44295724 C17H20N2O4 316.35 C[C@@H]1C2[C@@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C IC50 > 1000000 nM Non binder T42881 Cytomegalovirus Protease B75FSQ Benzyl (3aS,6S,6aR)-6-methyl-4-methylsulfonyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 6481314 C16H20N2O5S 352.4 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)S(=O)(=O)C IC50 ~ 500000 nM Non binder T42881 Cytomegalovirus Protease B8B5FL Benzyl (3aS,6S,6aR)-6-methyl-4-(4-nitrophenyl)-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 493460 C21H21N3O5 395.4 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C4=CC=C(C=C4)[N+](=O)[O-] IC50 ~ 500000 nM Non binder T42881 Cytomegalovirus Protease B9Q3MZ (3As,6S,6aR)-4-Benzylcarbamoyl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 493459 C23H25N3O4 407.5 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)NCC4=CC=CC=C4 IC50 = 250000 nM Non binder T42881 Cytomegalovirus Protease BBD07E 4-(2,2-Dimethyl-propionyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44295910 C20H26N2O4 358.4 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C(C)(C)C IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BBR76H Benzyl (3aS,6aR)-4-acetyl-6,6-dimethyl-5-oxo-2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 493455 C18H22N2O4 330.4 CC(=O)N1[C@H]2CCN([C@@H]2C(C1=O)(C)C)C(=O)OCC3=CC=CC=C3 IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BFG5S8 Benzyl (3aS,6S,6aR)-6-methyl-5-oxo-4-(2,2,3,3-tetramethylcyclopropanecarbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 490592 C23H30N2O4 398.5 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C4C(C4(C)C)(C)C IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BL0RY6 6-Methyl-5-oxo-4-(2,2,3,3-tetramethyl-cyclopropanecarbonyl)-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44296323 C23H30N2O4 398.5 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C4C(C4(C)C)(C)C IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BQ3U0P Benzyl (3aS,6S,6aR)-4-(2,2-dimethylpropanoyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 490585 C20H26N2O4 358.4 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C(C)(C)C IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BSF9A1 {(S)-2,2-Dimethyl-1-[(S)-3-methyl-1-(4-oxo-azetidin-2-yloxymethyl)-butylcarbamoyl]-propyl}-carbamic acid tert-butyl ester Investigative 456164 C20H37N3O5 399.5 CC(C)C[C@@H](COC1CC(=O)N1)NC(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C IC50 > 300000 nM Non binder T42881 Cytomegalovirus Protease BU1P5Z 4-(2-Hydroxy-3-phenoxy-propyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44295551 C24H28N2O5 424.5 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)CC(COC4=CC=CC=C4)O IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BVD94N (3Ar,6R,6aS)-4-acetyl-1-[(2S)-1-benzoylpyrrolidine-2-carbonyl]-6-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one Investigative 11025393 C21H25N3O4 383.4 C[C@@H]1[C@H]2[C@@H](CCN2C(=O)[C@@H]3CCCN3C(=O)C4=CC=CC=C4)N(C1=O)C(=O)C IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BWIF06 (3Ar,6R,6aS)-4-acetyl-1-[(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carbonyl]-6-methyl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one Investigative 10874917 C26H32N4O5S 512.6 C[C@@H]1[C@H]2[C@@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)N(C1=O)C(=O)C IC50 > 500000 nM Non binder T42881 Cytomegalovirus Protease BY1B2P Benzyl (3aS,6S,6aR)-4-(2,4-dinitrophenyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 490601 C21H20N4O7 440.4 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] IC50 ~ 500000 nM Non binder