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TitleDiscovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 336-346, Year 2009
Publish dateNov 12, 2009 (structure data deposition date)
AuthorsVenkatraman, S. / Velazquez, F. / Wu, W. / Blackman, M. / Chen, K.X. / Bogen, S. / Nair, L. / Tong, X. / Chase, R. / Hart, A. ...Venkatraman, S. / Velazquez, F. / Wu, W. / Blackman, M. / Chen, K.X. / Bogen, S. / Nair, L. / Tong, X. / Chase, R. / Hart, A. / Agrawal, S. / Pichardo, J. / Prongay, A. / Cheng, K.C. / Girijavallabhan, V. / Piwinski, J. / Shih, N.Y. / Njoroge, F.G.
External linksJ. Med. Chem. / PubMed:19102654
MethodsX-ray diffraction
Resolution2.65 Å
Structure data

PDB-3knx:
HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-JZT:
(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-HOH:
WATER

Source
  • hepatitis c virus subtype 1a
KeywordsVIRAL PROTEIN / Hepatitis C Virus / NS3 Protease Domain / serine protease / macrocyclic ketoamide inhibitor / ATP-binding / Envelope protein / Helicase / Hydrolase / Membrane / Nucleotide-binding / RNA replication / Transmembrane

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