Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM241941
Substrate
n/a
Meas. Tech.
FRET Assay
pH
7.8±n/a
Temperature
298.15±n/a K
IC50
53±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:
BDBM241941
Synonyms:
US9422333, I-6
Type:
Small organic molecule
Emp. Form.:
C30H46N4O7
Mol. Mass.:
574.7088
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Structure:
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