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Target
Genome polyprotein
Ligand
BDBM124110
Substrate
n/a
Meas. Tech.
Enzymatic assay
pH
7.5±n/a
Temperature
303.15±n/a K
Ki
43±n/a nM
Comments
extracted
Citation
 Simmen, KA; De Kock, HA; Rabiosson, PJ; Tahri, A; Nilsson, KM; Samuelsson, BB; Rosenquist, AA; Antonov, D Macrocyclic inhibitors of hepatitis C virus US Patent  US8754105 Publication Date 6/17/2014 
Target
Name:
Genome polyprotein
Synonyms:
NS3/4A protein
Type:
Enzyme
Mol. Mass.:
73007.91
Organism:
Hepatitis C virus
Description:
B0B3F0
Residue:
685
Sequence:
APITAYAQQTRGLLGTIVTSLTGRDKNVVTGEVQVLSTTTQTFLGTTVGGVMWTVYHGAGSRTLAGAKHPALQMYTNVDQDLVGWPAPPGAKSLELCTCGSADLYLVTRDADVIPARRRGDSTASLLSPRPLACLKGSSGGPVMCPSGHVAGIFRAAVCTRGVAKALQFIPVETLSTQARSPSFSDNSTPPAVPQSYQVGYLHAPTGSGKSTKVPAAYVAQGYNVLVLNPSVAATLGFGSYMSRAHGIDPNIRTGNRTVTTGAKLTYSTYGKFLADGGCSGGAYDVIICDECHAQDATSILGIGTVLDQAETAGVRLTVLATATPPGSITVPHSNIEEVALGSEGGIPFYGKAIPIAQLEGGRHLIFCHSRKKCDELASKLRGMGLNAVAYYRGLDVSVIPTVGDVVVCATDALMTGFTGDFDSVIDCNVAVEQYVDFSLDPTFSIETRTAPQDAVSRSQRRGRTGRGRPSTYRYVTPGERPSGMFDSVVLCECYDAGCSWYDLQPAETTVRLRAYLSTPGLPVWQDHLDFWESVFTGLTHIDAHFLSQTKQQGLNFSYLTAYQATVCARAQAPPPSWDEMWKCLVRLKPTLHGPTPLLYRLGPIQNEICLTHPITKYIMACMSADLEVTTSTWVLLGGVLAALAAYCLSVGCVVIVGHIELGGKPALVPDKEVLYQQYDEMEEC
  
Inhibitor
Name:
BDBM124110
Synonyms:
US8754105, 17
Type:
Small organic molecule
Emp. Form.:
C29H33ClN4O8S
Mol. Mass.:
633.112
SMILES:
COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)OCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)nc(Cl)cc2c1 |r,c:21|
Structure:
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