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TitleIsosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1990-1994, Year 2015
Publish dateFeb 20, 2015 (structure data deposition date)
AuthorsBoyd, M.J. / Bandarage, U.K. / Bennett, H. / Byrn, R.R. / Davies, I. / Gu, W. / Jacobs, M. / Ledeboer, M.W. / Ledford, B. / Leeman, J.R. ...Boyd, M.J. / Bandarage, U.K. / Bennett, H. / Byrn, R.R. / Davies, I. / Gu, W. / Jacobs, M. / Ledeboer, M.W. / Ledford, B. / Leeman, J.R. / Perola, E. / Wang, T. / Bennani, Y. / Clark, M.P. / Charifson, P.S.
External linksBioorg. Med. Chem. Lett. / PubMed:25827523
MethodsX-ray diffraction
Resolution2.62 Å
Structure data

PDB-4yd0:
Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

Chemicals

ChemComp-4EW:
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine

ChemComp-HOH:
WATER

Source
  • influenza a virus
KeywordsTRANSCRIPTION/INHIBITOR / small-molecule drug / inhibitor / flu / m7-GTP pocket / TRANSCRIPTION-INHIBITOR complex

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