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Target
Genome polyprotein
Ligand
BDBM123410
Substrate
n/a
Meas. Tech.
Enzymatic Assay
Ki
9.4±n/a nM
Citation
 Simmen, KA; De Kock, HA; Raboisson, PJ; Hu, L; Tahri, A; Surleraux, DL; Nilsson, KM; Samuelsson, BB; Rosenquist, AA; Ivanov, V; Pelcman, M; Belfrage, AK; Johansson, PM; Vendeville, SM Macrocyclic inhibitors of hepatitis C virus US Patent  US8754106 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:
BDBM123410
Synonyms:
US8741926, 82 | US8754106, 82 | US8754106, 91
Type:
Small organic molecule
Emp. Form.:
C38H47N5O7S2
Mol. Mass.:
749.939
SMILES:
COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21|
Structure:
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