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 B1FQD4 N-[2-[(3Ar,6R,6aS)-4-(cyclopropanecarbonyl)-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-2-oxoethyl]-5-(dimethylamino)-N-methylnaphthalene-1-sulfonamide Investigative 44295946 C26H32N4O5S 512.6 C[C@@H]1[C@H]2[C@@H](CCN2C(=O)CN(C)S(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C)N(C1=O)C(=O)C5CC5 IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease B2SLP9 4-((2R,3S)-1-Benzylcarbamoyl-3-methyl-4-oxo-azetidin-2-yloxy)-benzoic acid Investigative 478975 C19H18N2O5 354.4 C[C@H]1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease B36DAK (3S,3Ar,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(3-isopropoxy-benzenesulfonyl)-pyrrolidine-2-carbonyl]-3-methyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one Investigative 511083 C25H33N3O6S 503.6 C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=CC(=C4)OC(C)C)N(C1=O)C(=O)C5CC5 IC50 = 65000 nM Poor binder T42881 Cytomegalovirus Protease B4L1JD [(2R,3S)-3-Methyl-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl] acetate Investigative 478970 C13H14N2O4 262.26 C[C@H]1[C@H](N(C1=O)C(=O)NC2=CC=CC=C2)OC(=O)C IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease B6NQC4 4-((R)-1-Benzylcarbamoyl-4-oxo-azetidin-2-yloxy)-benzoic acid Investigative 478974 C18H16N2O5 340.3 C1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease B6X4KP (3Ar,6R,6aS)-1-(1-Tosylprolyl)-4-acetyl-5-oxo-6-methyloctahydropyrrolo[3,2-b]pyrrole Investigative 11037447 C21H27N3O5S 433.5 C[C@@H]1[C@H]2[C@@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)C)N(C1=O)C(=O)C IC50 = 159000 nM Poor binder T42881 Cytomegalovirus Protease B7HCD0 4-((2R,3R)-1-Benzylcarbamoyl-3-ethyl-4-oxo-azetidin-2-yloxy)-benzoic acid Investigative 479061 C20H20N2O5 368.4 CC[C@@H]1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O IC50 = 50000 nM Poor binder T42881 Cytomegalovirus Protease B9LM0J 4-Acetyl-1-(1-benzoyl-pyrrolidine-2-carbonyl)-6-methyl-hexahydro-cyclopenta[b]pyrrol-5-one Investigative 10894271 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 = 50000 nM Poor binder T42881 Cytomegalovirus Protease B9QSC8 Acetic acid (R)-1-isopropylcarbamoyl-4-oxo-azetidin-2-yl ester Investigative 478964 C9H14N2O4 214.22 CC(C)NC(=O)N1[C@@H](CC1=O)OC(=O)C IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease B9TF7S (3S,3Ar,6aS)-4-[(S)-1-(5-Dimethylamino-naphthalene-1-sulfonyl)-pyrrolidine-2-carbonyl]-3-methyl-1-(2,2,3,3-tetramethyl-cyclopropanecarbonyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one Investigative 493464 C32H42N4O5S 594.8 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)C6C(C6(C)C)(C)C IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BBK04P Acetic acid (R)-1-ethylcarbamoyl-4-oxo-azetidin-2-yl ester Investigative 478963 C8H12N2O4 200.19 CCNC(=O)N1[C@@H](CC1=O)OC(=O)C IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BBV9K2 1-Acetyl-3-methyl-4-(2-phenoxy-acetyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one Investigative 44295781 C17H20N2O4 316.35 C[C@H]1C2[C@H](CCN2C(=O)COC3=CC=CC=C3)N(C1=O)C(=O)C IC50 = 63000 nM Poor binder T42881 Cytomegalovirus Protease BBX10I Acetic acid (R)-1-benzylcarbamoyl-3,3-dimethyl-4-oxo-azetidin-2-yl ester Investigative 478967 C15H18N2O4 290.31 CC(=O)O[C@@H]1C(C(=O)N1C(=O)NCC2=CC=CC=C2)(C)C IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BE6S4C Tert-butyl 2-[4-[[4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidin-2-yl]sulfanylmethyl]phenyl]acetate Investigative 482289 C25H30N2O4S 454.6 C[C@H](C1=CC=CC=C1)NC(=O)N2C(CC2=O)SCC3=CC=C(C=C3)CC(=O)OC(C)(C)C IC50 = 75000 nM Poor binder T42881 Cytomegalovirus Protease BFEU73 4-((R)-1-Isopropylcarbamoyl-4-oxo-azetidin-2-yloxy)-benzoic acid Investigative 478972 C14H16N2O5 292.29 CC(C)NC(=O)N1[C@@H](CC1=O)OC2=CC=C(C=C2)C(=O)O IC50 = 100000 nM Poor binder T42881 Cytomegalovirus Protease BFR1L3 4-((R)-4-Oxo-1-phenylcarbamoyl-azetidin-2-yloxy)-benzoic acid Investigative 478973 C17H14N2O5 326.3 C1[C@H](N(C1=O)C(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BG4C8X Benzyl (3aS,6S)-4-[(2S,3S)-2,3-dimethylcyclopropanecarbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 71461732 C21H26N2O4 370.4 C[C@H]1[C@@H](C1C(=O)N2[C@H]3CCN(C3[C@@H](C2=O)C)C(=O)OCC4=CC=CC=C4)C IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BGIP47 1-Acetyl-3-methyl-4-(2-oxo-3-phenyl-propyl)-hexahydro-pyrrolo[3,2-b]pyrrol-2-one Investigative 44295804 C18H22N2O3 314.4 C[C@H]1C2[C@H](CCN2CC(=O)CC3=CC=CC=C3)N(C1=O)C(=O)C IC50 = 79000 nM Poor binder T42881 Cytomegalovirus Protease BI3M2F (3S,3Ar,6aS)-3-Methyl-2-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1,4-dicarboxylic acid 4-benzyl ester 1-methyl ester Investigative 493456 C17H20N2O5 332.4 C[C@H]1[C@@H]2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)OC IC50 = 148000 nM Poor binder T42881 Cytomegalovirus Protease BK7LT2 Acetic acid (R)-3,3-diethyl-1-methylcarbamoyl-4-oxo-azetidin-2-yl ester Investigative 478968 C11H18N2O4 242.27 CCC1([C@H](N(C1=O)C(=O)NC)OC(=O)C)CC IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BM32KN Acetic acid (R)-1-butylcarbamoyl-4-oxo-azetidin-2-yl ester Investigative 478965 C10H16N2O4 228.24 CCCCNC(=O)N1[C@@H](CC1=O)OC(=O)C IC50 = 68000 nM Poor binder T42881 Cytomegalovirus Protease BQP9V4 Benzyl (3aS,6S,6aR)-4-[(2S,3R)-2,3-dimethylcyclopropanecarbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 490590 C21H26N2O4 370.4 C[C@@H]1[C@@H](C1C(=O)N2[C@H]3CCN([C@@H]3[C@@H](C2=O)C)C(=O)OCC4=CC=CC=C4)C IC50 = 72000 nM Poor binder T42881 Cytomegalovirus Protease BS71KQ 4-Isobutyryl-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44296004 C19H24N2O4 344.4 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C(C)C IC50 = 126000 nM Poor binder T42881 Cytomegalovirus Protease BS75IB [(2R,3R)-3-Methyl-4-oxo-1-(phenylcarbamoyl)azetidin-2-yl] acetate Investigative 478971 C13H14N2O4 262.26 C[C@@H]1[C@H](N(C1=O)C(=O)NC2=CC=CC=C2)OC(=O)C IC50 = 86000 nM Poor binder T42881 Cytomegalovirus Protease BT1VM5 4-((2R,3S)-1-Benzylcarbamoyl-3-ethyl-4-oxo-azetidin-2-yloxy)-benzoic acid Investigative 479060 C20H20N2O5 368.4 CC[C@H]1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BUE94R Benzyl 4-acetyl-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 490579 C17H20N2O4 316.35 CC1C2C(CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C IC50 = 110000 nM Poor binder T42881 Cytomegalovirus Protease BUM04R Benzyl (3aS,6S)-4-[(2S,3R)-2,3-dimethylcyclopropanecarbonyl]-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 71461709 C21H26N2O4 370.4 C[C@@H]1[C@@H](C1C(=O)N2[C@H]3CCN(C3[C@@H](C2=O)C)C(=O)OCC4=CC=CC=C4)C IC50 = 72000 nM Poor binder T42881 Cytomegalovirus Protease BV7B4O (2R,3S)-N-Benzyl-2-[4-(2,2-dimethylpropanoyl)phenoxy]-3-methyl-4-oxoazetidine-1-carboxamide Investigative 44347852 C23H26N2O4 394.5 C[C@H]1[C@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)C(C)(C)C IC50 ~ 100000 nM Poor binder T42881 Cytomegalovirus Protease BVM13K 4-(3-Hydroxy-propionyl)-6-methyl-5-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid benzyl ester Investigative 44296005 C18H22N2O5 346.4 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)CCO IC50 = 133000 nM Poor binder T42881 Cytomegalovirus Protease BZPK93 Benzyl (3aS,6S)-4-acetyl-6-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carboxylate Investigative 44295937 C17H20N2O4 316.35 C[C@H]1C2[C@H](CCN2C(=O)OCC3=CC=CC=C3)N(C1=O)C(=O)C IC50 = 79000 nM Poor binder