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Target
Genome polyprotein [1027-1206,R1052K]/[1678-1691]
Ligand
BDBM3880
Substrate
NS4B-5A
Meas. Tech.
HCV Protease Inhibition Assay
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
7000±n/a nM
Citation
 Bailey, MD; Halmos, T; Goudreau, N; Lescop, E; Llinas-Brunet, M Novel azapeptide inhibitors of hepatitis C virus serine protease. J Med Chem 47:3788-99 (2004) [PubMed]  Article 
Target
Name:
Genome polyprotein [1027-1206,R1052K]/[1678-1691]
Synonyms:
HCV NS3-NS4A Serine Proteinase
Type:
Enzyme and Cofactor
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Genome polyprotein [1027-1206,R1052K]
Synonyms:
HCV NS3 Proteinase | NS3-NS4A Protein | POLG_HCVCO
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
  
Component 2
Name:
Genome polyprotein [1678-1691]
Synonyms:
HCV NS4A | POLG_HCVJA
Type:
Peptide
Mol. Mass.:
1815.28
Organism:
n/a
Description:
NS4A-derived peptide
Residue:
17
Sequence:
KKGSVVIVGRIILSGRK
 
Inhibitor
Name:
BDBM3880
Synonyms:
(2S)-2-{[(2S,4R)-4-(benzyloxy)-1-[(2S)-2-[(2S)-2-[(3S)-3-[(3S)-3-acetamido-3-formamidopropanoic acid]-3-formamidopropanoic acid]-3-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}pentanoic acid | Azapeptide-based compound 21 | CHEMBL265531
Type:
Small organic molecule
Emp. Form.:
C38H56N6O13
Mol. Mass.:
804.8836
SMILES:
CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
NS4B-5A
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1414.56
Organism:
n/a
Description:
NS4B-5A derived peptide
Residue:
12
Sequence:
DDIVPCSMSYTW