Target
Genome polyprotein
Ligand
BDBM92407
Substrate
n/a
Meas. Tech.
Binding Assay
pH
8±0
Ki
0.97±0.08 nM
KOFF
5.3E-4 s-1
KON
5.4E5 M-1s-1
Citation
 Lemke, CTGoudreau, NZhao, SHucke, OThibeault, DLlinás-Brunet, MWhite, PW Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335. J Biol Chem 286:11434-43 (2011) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
NS3 Protease
Type:
Protein
Mol. Mass.:
18999.15
Organism:
Hepatitis C Virus
Description:
ABC73367
Residue:
181
Sequence:
APITAYSQQTRGLLACIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVYHGAGSKTLAGPKGPVIQMYTNVDQDLVGWPAPPGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDGRGSLLSPRPVSYLKGSSGGPLLCPSGHAVGIFRAAVCTRGVAKAVDFIPVESMETTMRS
  
Inhibitor
Name:
BDBM92407
Synonyms:
BI201335
Type:
Peptide
Emp. Form.:
C40H49BrN6O9S
Mol. Mass.:
869.821
SMILES:
COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC3CCCC3)C(C)(C)C)C(=O)N[C@@]3(CC3C=C)C(O)=O)cc(nc2c1Br)-c1csc(NC(=O)C(C)C)n1 |r|
Structure:
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