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TitleDesign and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 5098-5103, Year 2012
Publish dateMay 21, 2012 (structure data deposition date)
AuthorsLe, P.T. / Cheng, H. / Ninkovic, S. / Plewe, M. / Huang, X. / Wang, H. / Bagrodia, S. / Sun, S. / Knighton, D.R. / LaFleur Rogers, C.M. ...Le, P.T. / Cheng, H. / Ninkovic, S. / Plewe, M. / Huang, X. / Wang, H. / Bagrodia, S. / Sun, S. / Knighton, D.R. / LaFleur Rogers, C.M. / Pannifer, A. / Greasley, S. / Dalvie, D. / Zhang, E.
External linksBioorg. Med. Chem. Lett. / PubMed:22749419
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-4fa6:
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4fad:
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-0TA:
2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one

ChemComp-HOH:
WATER

ChemComp-0TB:
2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / PHOSPHOINOSITIDE KINASE / Transferase-Transferase Inhibitor complex

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