Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50061502
Substrate
n/a
Meas. Tech.
ChEMBL_158975 (CHEMBL763742)
IC50
6000±n/a nM
Citation
Ogilvie, W; Bailey, M; Poupart, MA; Abraham, A; Bhavsar, A; Bonneau, P; Bordeleau, J; Bousquet, Y; Chabot, C; Duceppe, JS; Fazal, G; Goulet, S; Grand-Maître, C; Guse, I; Halmos, T; Lavallée, P; Leach, M; Malenfant, E; O'Meara, J; Plante, R; Plouffe, C; Poirier, M; Soucy, F; Yoakim, C; Déziel, R Peptidomimetic inhibitors of the human cytomegalovirus protease. J Med Chem 40:4113-35 (1998) [PubMed] Article
More Info.:
Target
Name:
Genome polyprotein
Synonyms:
Human rhinovirus A protease | Human rhinovirus B 3A protease
Type:
PROTEIN
Mol. Mass.:
44361.04
Organism:
Human rhinovirus B
Description:
ChEMBL_158953
Residue:
401
Sequence:
AFRPCNVNTKIGNAKCCPFVCGKAVTFKDRSTCSTYNLSSSLHHILEEDKRRRQVVDVMSAIFQGPISLDAPPPPAIADLLQSVRTPRVIKYCQIIMGHPAECQVERDLNIANSIIAIIANIISIAGIIFVIYKLFCSLQGPYSGEPKPKTKVPERRVVAQGPEEEFGRSILKNNTCVITTGNGKFTGLGIHDRILIIPTHADPGREVQVNGVHTKVLDSYDLYNRDGVKLEITVIQLDRNEKFRDIRKYIPETEDDYPECNLALSANQDEPTIIKVGDVVSYGNILLSGNQTARMLKYNYPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTGQIKVNKHATECGLPDIQTIHTPSKTKLQPSVFYDVFPGSKEPAVLTDNDPRLEVNFKEA
Inhibitor
Name:
BDBM50061502
Synonyms:
(S)-2-[(S)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-2-adamantan-1-yl-acetylamino]-N*4*,N*4*-dimethyl-N*1*-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)-succinamide | CHEMBL130763
Type:
Small organic molecule
Emp. Form.:
C29H44F3N5O6
Mol. Mass.:
615.6848
SMILES:
CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 |TLB:40:35:42:41.39.38,40:39:42:34.35.36,THB:38:37:34:41.39.40,38:39:34:42.37.36|