Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50137718
Substrate
n/a
Meas. Tech.
ChEMBL_161069 (CHEMBL771843)
Ki
90±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:
BDBM50137718
Synonyms:
(1S,5S,6R)-2-((S)-3-Methyl-2-{(S)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-1,2,3,3a,6,6a-hexahydro-cyclopenta[c]pyrrole-1-carboxylic acid (1-cyclopropylaminooxalyl-butyl)-amide | CHEMBL49900
Type:
Small organic molecule
Emp. Form.:
C32H45N7O6
Mol. Mass.:
623.743
SMILES:
CCCC(NC(=O)[C@@H]1[C@H]2CC=C[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)NC1CC1 |c:10|
Structure:
Search PDB for entries with ligand similarity: