Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM241942
Substrate
n/a
Meas. Tech.
FRET Assay
pH
7.8±n/a
Temperature
298.15±n/a K
IC50
232±n/a nM
Comments
extracted
Citation
 Niu, D; Petter, RC; Qiao, L; Singh, J HCV protease inhibitors and uses thereof US Patent  US9422333 Publication Date 8/23/2016 
Target
Name:
Genome polyprotein
Synonyms:
Protease NS3/Non-structural protein 4A (NS3/NS4A) | Protease NS3/Non-structural protein 4A (NS3/NS4A) (D168V)
Type:
Enzyme
Mol. Mass.:
19121.30
Organism:
Hepatitis C virus genotype 1b (isolate Con1) (HCV)
Description:
Q91RS4
Residue:
181
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTAAQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGARSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRS
  
Inhibitor
Name:
BDBM241942
Synonyms:
US9422333, I-11
Type:
Small organic molecule
Emp. Form.:
C36H50N8O7
Mol. Mass.:
706.8316
SMILES:
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Structure:
Search PDB for entries with ligand similarity: