Target
Genome polyprotein [1027-1206,R1052K]
Ligand
BDBM92407
Substrate
n/a
Meas. Tech.
Binding Assay
pH
8±0
Ki
0.53±0.05 nM
KOFF
4.4E-4 s-1
KON
8.5E5 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 [1027-1206,R1052K]
Synonyms:
HCV NS3 Proteinase | NS3-NS4A Protein
Type:
Enzyme Subunit
Mol. Mass.:
18947.03
Organism:
Hepatitis C virus
Description:
HCV (BK strain) NS3 protein region from amino acid 1 to 180, harboring a C-terminal poly Lys solubilization motif (ASKKKK).
Residue:
180
Sequence:
APITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNGVCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHAVGIFRAAVCTRGVAKAVDFVPVESMETTMR
  
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:
Search PDB for entries with ligand similarity: