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TitleDiscovery of 4-Amino-1-(7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Piperidine-4-Carboxamides as Selective, Orally Active Inhibitors of Protein Kinase B (Akt).
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 2239-, Year 2010
Publish dateJan 22, 2010 (structure data deposition date)
AuthorsMchardy, T. / Caldwell, J.J. / Cheung, K.M. / Hunter, L.J. / Taylor, K. / Rowlands, M. / Ruddle, R. / Henley, A. / De Haven Brandon, A. / Valenti, M. ...Mchardy, T. / Caldwell, J.J. / Cheung, K.M. / Hunter, L.J. / Taylor, K. / Rowlands, M. / Ruddle, R. / Henley, A. / De Haven Brandon, A. / Valenti, M. / Davies, T.G. / Fazal, L. / Seavers, L. / Raynaud, F.I. / Eccles, S.A. / Aherne, G.W. / Garrett, M.D. / Collins, I.
External linksJ. Med. Chem. / PubMed:20151677
MethodsX-ray diffraction
Resolution1.93 - 2.72 Å
Structure data

PDB-2x39:
Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin- 4-yl)piperidine-4-carboxamide bound to PKB
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-2xh5:
Structure of 4-(4-tert-Butylbenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4- yl)piperidin-4-amine bound to PKB
Method: X-RAY DIFFRACTION / Resolution: 2.72 Å

Chemicals

ChemComp-X39:
4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE

ChemComp-HOH:
WATER

ChemComp-X37:
4-(4-tert-butylbenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / NUCLEOTIDE-BINDING / WNT SIGNALING PATHWAY / KINASE / PHOSPHOPROTEIN

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