Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50065621
Substrate
n/a
Meas. Tech.
ChEMBL_160902 (CHEMBL771798)
Ki
30±n/a nM
Citation
 Dragovich, PS; Webber, SE; Babine, RE; Fuhrman, SA; Patick, AK; Matthews, DA; Lee, CA; Reich, SH; Prins, TJ; Marakovits, JT; Littlefield, ES; Zhou, R; Tikhe, J; Ford, CE; Wallace, MB; Meador, JW; Ferre, RA; Brown, EL; Binford, SL; Harr, JE; DeLisle, DM; Worland, ST Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 1. Michael acceptor structure-activity studies. J Med Chem 41:2806-18 (1998) [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:
BDBM50065621
Synonyms:
CHEMBL94688 | [(S)-1-((S)-1-{(S)-3-Carbamoyl-1-[2-oxo-dihydro-pyran-(3E)-ylidenemethyl]-propylcarbamoyl}-2-phenyl-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C33H42N4O7
Mol. Mass.:
606.7092
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)\C=C1/CCCOC1=O
Structure:
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