Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM110277
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1±n/a nM
Citation
 Brandl, T; Raman, P; Rigollier, P; Seepersaud, M; Simic, O Peptidomimetic sulfamide compounds and antiviral uses thereof US Patent  US8613914 Publication Date 12/24/2013 
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:
BDBM110277
Synonyms:
US8613914, 45 | US9206232, 45
Type:
Small organic molecule
Emp. Form.:
C45H72FN7O7S
Mol. Mass.:
874.159
SMILES:
CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)N1CC[C@@H](F)C1)C(C)(C)[C@]21CCC1)C(C)(C)C |r|
Structure:
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