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Target
Genome polyprotein
Ligand
BDBM50137713
Substrate
n/a
Meas. Tech.
ChEMBL_161069 (CHEMBL771843)
Ki
82±n/a nM
Citation
 Yip, Y; Victor, F; Lamar, J; Johnson, R; Wang, QM; Barket, D; Glass, J; Jin, L; Liu, L; Venable, D; Wakulchik, M; Xie, C; Heinz, B; Villarreal, E; Colacino, J; Yumibe, N; Tebbe, M; Munroe, J; Chen, SH Discovery of a novel bicycloproline P2 bearing peptidyl alpha-ketoamide LY514962 as HCV protease inhibitor. Bioorg Med Chem Lett 14:251-6 (2003) [PubMed]  Article 
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:
BDBM50137713
Synonyms:
(S)-2-((S)-3-{[(1S,5S,6R)-4-Fluoro-2-((S)-3-methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carbonyl]-amino}-2-oxo-hexanoylamino)-3-phenyl-propionic acid | CHEMBL83596
Type:
Small organic molecule
Emp. Form.:
C38H50FN7O8
Mol. Mass.:
751.8441
SMILES:
CCCC(NC(=O)[C@@H]1[C@H]2CC[C@H](F)[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Structure:
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