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TitleDesign and discovery of 3-aryl-5-substituted-isoquinolin-1- ones as potent and selective tankyrase inhibitors
Journal, issue, pagesTo be published
Publish dateJul 28, 2014 (structure data deposition date)
AuthorsElliot, R.J. / Jarvis, A. / Rajasekaran, M.B. / Menon, M. / Bowers, L. / Boffey, R. / Bayford, M. / Firth-Clark, S. / Beevers, R. / Aquil, R. ...Elliot, R.J. / Jarvis, A. / Rajasekaran, M.B. / Menon, M. / Bowers, L. / Boffey, R. / Bayford, M. / Firth-Clark, S. / Beevers, R. / Aquil, R. / Kirton, S.B. / Niculescu-Duvaz, D. / Fish, L. / Lopes, F. / McLeary, R. / Trindade, I. / Vendrell, E. / Munkonge, F. / Porter, R. / Perrior, T. / Springer, C. / Oliver, A.W. / Pearl, L.H. / Ashworth, A. / Lord, C.J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.37 Å
Structure data

PDB-4u6a:
X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-3DN:
3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Inhibitor / WNT signalling

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