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Structure paper

Title5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 6047-6052, Year 2009
Publish dateApr 4, 2009 (structure data deposition date)
AuthorsEllis, D.A. / Blazel, J.K. / Tran, C.V. / Ruebsam, F. / Murphy, D.E. / Li, L.S. / Zhao, J. / Zhou, Y. / McGuire, H.M. / Xiang, A.X. ...Ellis, D.A. / Blazel, J.K. / Tran, C.V. / Ruebsam, F. / Murphy, D.E. / Li, L.S. / Zhao, J. / Zhou, Y. / McGuire, H.M. / Xiang, A.X. / Webber, S.E. / Zhao, Q. / Han, Q. / Kissinger, C.R. / Lardy, M. / Gobbi, A. / Showalter, R.E. / Shah, A.M. / Tsan, M. / Patel, R.A. / LeBrun, L.A. / Kamran, R. / Bartkowski, D.M. / Nolan, T.G. / Norris, D.A. / Sergeeva, M.V. / Kirkovsky, L.
External linksBioorg. Med. Chem. Lett. / PubMed:19796938
MethodsX-ray diffraction
Resolution2.15 - 2.6 Å
Structure data

PDB-3gyn:
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-3igv:
Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-B42:
N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

ChemComp-HOH:
WATER

ChemComp-B80:
N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

Source
  • hepatitis c virus (isolate bk)
KeywordsTRANSFERASE / PROTEIN-LIGAND COMPLEX / RNA REPLICATION / RNA-BINDING / RNA-DIRECTED RNA POLYMERASE / METAL-BINDING / NUCLEOTIDE-BINDING / NUCLEOTIDYLTRANSFERASE / TRANSCRIPTION / Acetylation / Apoptosis / ATP-binding / Capsid protein / Cell membrane / Cytoplasm / Disulfide bond / Endoplasmic reticulum / Envelope protein / Fusion protein / Glycoprotein / Helicase / Host-virus interaction / Hydrolase / Interferon antiviral system evasion / Lipid droplet / Lipoprotein / Membrane / Mitochondrion / Multifunctional enzyme / Nucleus / Oncogene / Palmitate / Phosphoprotein / Protease / Ribonucleoprotein / Secreted / Serine protease / SH3-binding / Thiol protease / Transcription regulation / Transmembrane / Ubl conjugation / Viral nucleoprotein / Virion / Zinc / ANTIVIRAL / METAL BINDING

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