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TitleDiscovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 480-511, Year 2015
Publish dateNov 11, 2014 (structure data deposition date)
AuthorsCushing, T.D. / Hao, X. / Shin, Y. / Andrews, K. / Brown, M. / Cardozo, M. / Chen, Y. / Duquette, J. / Fisher, B. / Gonzalez-Lopez de Turiso, F. ...Cushing, T.D. / Hao, X. / Shin, Y. / Andrews, K. / Brown, M. / Cardozo, M. / Chen, Y. / Duquette, J. / Fisher, B. / Gonzalez-Lopez de Turiso, F. / He, X. / Henne, K.R. / Hu, Y.L. / Hungate, R. / Johnson, M.G. / Kelly, R.C. / Lucas, B. / McCarter, J.D. / McGee, L.R. / Medina, J.C. / San Miguel, T. / Mohn, D. / Pattaropong, V. / Pettus, L.H. / Reichelt, A. / Rzasa, R.M. / Seganish, J. / Tasker, A.S. / Wahl, R.C. / Wannberg, S. / Whittington, D.A. / Whoriskey, J. / Yu, G. / Zalameda, L. / Zhang, D. / Metz, D.P.
External linksJ. Med. Chem. / PubMed:25469863
MethodsX-ray diffraction
Resolution2.3 - 2.7 Å
Structure data

PDB-4wwn:
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-4wwo:
Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4wwp:
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-3VC:
N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine / anticancer, antiinflammatory, inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-3VD:
N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine

ChemComp-3VE:
N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / phosphotransfer / PIP2 / TRANSFERASE-TRANSFERASE INHIBITOR complex

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