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TitleOptimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 3142-3153, Year 2010
Publish dateDec 17, 2009 (structure data deposition date)
AuthorsPenning, T.D. / Zhu, G.D. / Gong, J. / Thomas, S. / Gandhi, V.B. / Liu, X. / Shi, Y. / Klinghofer, V. / Johnson, E.F. / Park, C.H. ...Penning, T.D. / Zhu, G.D. / Gong, J. / Thomas, S. / Gandhi, V.B. / Liu, X. / Shi, Y. / Klinghofer, V. / Johnson, E.F. / Park, C.H. / Fry, E.H. / Donawho, C.K. / Frost, D.J. / Buchanan, F.G. / Bukofzer, G.T. / Rodriguez, L.E. / Bontcheva-Diaz, V. / Bouska, J.J. / Osterling, D.J. / Olson, A.M. / Marsh, K.C. / Luo, Y. / Giranda, V.L.
External linksJ. Med. Chem. / PubMed:20337371
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-3l3m:
PARP complexed with A927929
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-A92:
2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Protein-Inhibitor Complex / Acetylation / ADP-ribosylation / DNA damage / DNA repair / DNA-binding / Glycosyltransferase / Metal-binding / NAD / Nucleus / Phosphoprotein / Transcription / Transcription regulation

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