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TitleOptimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 897-, Year 2007
Publish dateDec 18, 2006 (structure data deposition date)
AuthorsSlater, M.J. / Amphlett, E.M. / Andrews, D.M. / Bravi, G. / Burton, G. / Cheasty, A.G. / Corfield, J.A. / Ellis, M.R. / Fenwick, R.H. / Fernandes, S. ...Slater, M.J. / Amphlett, E.M. / Andrews, D.M. / Bravi, G. / Burton, G. / Cheasty, A.G. / Corfield, J.A. / Ellis, M.R. / Fenwick, R.H. / Fernandes, S. / Guidetti, R. / Haigh, D. / Hartley, C.D. / Howes, P.D. / Jackson, D.L. / Jarvest, R.L. / Lovegrove, V.L. / Medhurst, K.J. / Parry, N.R. / Price, H. / Shah, P. / Singh, O.M. / Stocker, R. / Thommes, P. / Wilkinson, C. / Wonacott, A.
External linksJ. Med. Chem. / PubMed:17269759
MethodsX-ray diffraction
Resolution2 - 2.2 Å
Structure data

PDB-2jc0:
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2jc1:
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-699:
(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID

ChemComp-HOH:
WATER

ChemComp-698:
(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID

Source
  • hepatitis c virus
KeywordsHYDROLASE / HEPATITIS / POLYMERASE

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