Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50496204
Substrate
n/a
Meas. Tech.
ChEMBL_1294622 (CHEMBL3128537)
Ki
580±n/a nM
Citation
 Lampa, AK; Bergman, SM; Gustafsson, SS; Alogheli, H; Akerblom, EB; Lindeberg, GG; Svensson, RM; Artursson, P; Danielson, UH; Karlén, A; Sandström, A Novel Peptidomimetic Hepatitis C Virus NS3/4A Protease Inhibitors Spanning the P2-P1' Region. ACS Med Chem Lett 5:249-54 (2014) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
NS3 protease
Type:
PROTEIN
Mol. Mass.:
19154.35
Organism:
Hepacivirus C
Description:
ChEMBL_118440
Residue:
181
Sequence:
APITAYAQQTRGLLGCIITSLTGRDKNQAEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDKDLVGWPAPQGTRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGIFRAAVCTRGVAKAVDFIPVENLETTMRS
  
Inhibitor
Name:
BDBM50496204
Synonyms:
CHEMBL3125169
Type:
Small organic molecule
Emp. Form.:
C40H36F3N5O8S
Mol. Mass.:
803.803
SMILES:
COc1cc(Oc2ccc(cc2C=C)C(NC(=O)OC(C)(C)C)C(=O)Nc2cccc(c2)C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)nc(n1)-c1ccccc1
Structure:
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