4FAD

Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR

Summary for 4FAD

Entry DOI	10.2210/pdb4fad/pdb
Related	4FA6
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one (3 entities in total)
Functional Keywords	phosphoinositide kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P48736
Total number of polymer chains	1
Total formula weight	111097.48
Authors	Greasley, S.E.,Knighton, D.R.,LaFleur Rogers, C.M. (deposition date: 2012-05-22, release date: 2013-04-03, Last modification date: 2024-02-28)
Primary citation	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. Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR Bioorg.Med.Chem.Lett., 22:5098-5103, 2012 Cited by PubMed: 22749419 DOI: 10.1016/j.bmcl.2012.05.100 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation