Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM92896
Substrate
n/a
Meas. Tech.
Competitive Inhibition Assay
Ki
290±100 nM
Citation
 Dahl, G; Arenas, OG; Danielson, UH Hepatitis C virus NS3 protease is activated by low concentrations of protease inhibitors. Biochemistry 48:11592-602 (2009) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
NS3 protein
Type:
Protein
Mol. Mass.:
45665.89
Organism:
Hepatitis C virus
Description:
Q04045
Residue:
428
Sequence:
VFTDNSSPPAVPQSFQVAHLHAPTGSGKSTKVPAAYAAQGYKVLVLNPSVAATLGFGAYMSKAHGVDPNIRTGVRTITTGSPITYSTYGKFLADGGCSGGAYDIIICDECHSTDATSILGIGTVLDQAETAGARLVVLATATPPGSVTVSHPNIEEVALSTTGEIPFYGKAIPLEVIKGGRHLIFCHSKKKCDELAAKLVALGINAVAYYRGLDVSVIPTSGDVVVVSTDALMTGFTGDFDSVIDCNTCVTQTVDFSLDPTFTIETTTLPQDAVSRTQRRGRTGRGKPGIYRFVAPGERPSGMFDSSVLCECYDAGCAWYELTPAETTVRLRAYMNTPGLPVCQDHLEFWEGVFTGLTHIDAHFLSQTKQSGENFPYLVAYQATVCARAQAPPPSWDQMWKCLIRLKPTLHGPTPLLYRLGAVQNEVT
  
Inhibitor
Name:
BDBM92896
Synonyms:
NS3 Protease Inhibitor, 7
Type:
Small molecule
Emp. Form.:
C46H49N5O9S
Mol. Mass.:
847.974
SMILES:
COc1ccc2c(Oc3ccc(cc3)[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@]3(CC3C=C)C(=O)NS(=O)(=O)c3ccccc3)cc(nc2c1)-c1ccccc1 |r|
Structure:
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