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TitleDiscovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 1255-1258, Year 2009
Publish dateJan 8, 2009 (structure data deposition date)
AuthorsLi, H. / Tatlock, J. / Linton, A. / Gonzalez, J. / Jewell, T. / Patel, L. / Ludlum, S. / Drowns, M. / Rahavendran, S.V. / Skor, H. ...Li, H. / Tatlock, J. / Linton, A. / Gonzalez, J. / Jewell, T. / Patel, L. / Ludlum, S. / Drowns, M. / Rahavendran, S.V. / Skor, H. / Hunter, R. / Shi, S.T. / Herlihy, K.J. / Parge, H. / Hickey, M. / Yu, X. / Chau, F. / Nonomiya, J. / Lewis, C.
External linksJ. Med. Chem. / PubMed:19209845
MethodsX-ray diffraction
Resolution1.86 Å
Structure data

PDB-3frz:
Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-AG0:
(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one / inhibitor*YM

ChemComp-AG6:
N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-HOH:
WATER

Source
  • hepatitis c virus
KeywordsTRANSFERASE / viral polymerase / Acetylation / Apoptosis / ATP-binding / Capsid protein / Cell membrane / Cytoplasm / Endoplasmic reticulum / Envelope protein / Fusion protein / Glycoprotein / Helicase / Host-virus interaction / Hydrolase / Interferon antiviral system evasion / Lipid droplet / Lipoprotein / Membrane / Metal-binding / Mitochondrion / Multifunctional enzyme / Nucleotide-binding / Nucleotidyltransferase / Nucleus / Oncogene / Palmitate / Phosphoprotein / Protease / Ribonucleoprotein / RNA replication / RNA-binding / RNA-directed RNA polymerase / Secreted / Serine protease / SH3-binding / Thiol protease / Transcription / Transcription regulation / Transmembrane / Ubl conjugation / Viral nucleoprotein / Virion / Zinc

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