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TitleP4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 567-570, Year 2010
Publish dateNov 11, 2009 (structure data deposition date)
AuthorsNair, L.G. / Sannigrahi, M. / Bogen, S. / Pinto, P. / Chen, K.X. / Prongay, A. / Tong, X. / Cheng, K.C. / Girijavallabhan, V. / George Njoroge, F.
External linksBioorg. Med. Chem. Lett. / PubMed:20004570
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-3kn2:
HCV NS3 Protease Domain with ketoamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-M66:
(1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide

ChemComp-HOH:
WATER

Source
  • hepatitis c virus subtype 1a
KeywordsHYDROLASE / Hepatitis C Virus / NS3 Protease Domain / serine protease / ketoamide inhibitor / ATP-binding / Capsid protein / Envelope protein / Helicase / Host membrane / Membrane / Nucleotide-binding / RNA replication / Transmembrane / Virion

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