4UWH

Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors

4UWH の概要

• エントリーDOI: 10.2210/pdb4uwh/pdb
• 関連するPDBエントリー: 4UWK 4UWL
• 分子名称: PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION, (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, ... (4 entities in total)
• 機能のキーワード: transferase, lipid kinase, autophagy inhibitor
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Midbody: Q8NEB9
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 69067.79

構造登録者

Pasquier, B.,El-Ahmad, Y.,Filoche-Romme, B.,Dureuil, C.,Fassy, F.,Abecassis, P.Y.,Mathieu, M.,Bertrand, T.,Benard, T.,Barriere, C.,ElBatti, S.,Letallec, J.P.,Sonnefraud, V.,Brollo, M.,Delbarre, L.,Loyau, V.,Pilorge, F.,Bertin, L.,Richepin, P.,Arigon, J.,Labrosse, J.R.,Clement, J.,Durand, F.,Combet, R.,Perraut, P.,Leroy, V.,Gay, F.,Lefrancois, D.,Bretin, F.,Marquette, J.P.,Michot, N.,Caron, A.,Castell, C.,Schio, L.,McCort, G.,Goulaouic, H.,Garcia-Echeverria, C.,Ronan, B. (登録日: 2014-08-12, 公開日: 2014-11-26, 最終更新日: 2024-05-01)

• 主引用文献: Pasquier, B.,El-Ahmad, Y.,Filoche-Romme, B.,Dureuil-Sizaire, C.,Fassy, F.,Abecassis, P.,Mathieu, M.,Bertrand, T.,Benard, T.,Barriere, C.,El Batti, S.,Letallec, J.,Sonnefraud, V.,Brollo, M.,Delbarre, L.,Loyau, V.,Pilorge, F.,Bertin, L.,Richepin, P.,Arigon, J.,Labrosse, J.,Clement, J.,Durand, F.,Combet, R.,Perraut, P.,Leroy, V.,Gay, F.,Lefrancois, D.,Bretin, F.,Marquette, J.,Michot, N.,Caron, A.,Castell, C.,Schio, L.,Mccort, G.,Goulaouic, H.,Garcia-Echeverria, C.,Ronan, B.P.; Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.; J.Med.Chem., 58:376-, 2015; PubMed: 25402320; DOI: 10.1021/JM5013352

実験手法

X-RAY DIFFRACTION (1.93 Å)