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TitleDiscovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 1887-1891, Year 2018
Publish dateFeb 7, 2018 (structure data deposition date)
AuthorsParthasarathy, S. / Henry, K. / Pei, H. / Clayton, J. / Rempala, M. / Johns, D. / De Frutos, O. / Garcia, P. / Mateos, C. / Pleite, S. ...Parthasarathy, S. / Henry, K. / Pei, H. / Clayton, J. / Rempala, M. / Johns, D. / De Frutos, O. / Garcia, P. / Mateos, C. / Pleite, S. / Wang, Y. / Stout, S. / Condon, B. / Ashok, S. / Lu, Z. / Ehlhardt, W. / Raub, T. / Lai, M. / Geeganage, S. / Burkholder, T.P.
External linksBioorg. Med. Chem. Lett. / PubMed:29655979
MethodsX-ray diffraction
Resolution2.18 Å
Structure data

PDB-6ccy:
Crystal structure of Akt1 in complex with a selective inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

Chemicals

ChemComp-EX4:
(5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / kinase inhibitor / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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