Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM110378
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.1±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:
BDBM110378
Synonyms:
US8613914, 152 | US9206232, 152
Type:
Small organic molecule
Emp. Form.:
C48H79N7O8S
Mol. Mass.:
914.248
SMILES:
CCN(CC)S(=O)(=O)NC(=O)[C@]1(C[C@H]1C=C)NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCCCC1)C1(C)CCOCC1)C(C)(C)C21CCC1 |r|
Structure:
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