4UWG

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

Summary for 4UWG

• Entry DOI: 10.2210/pdb4uwg/pdb
• Related: 4UWF
• Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION, (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, ... (4 entities in total)
• Functional Keywords: transferase
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Midbody: Q8NEB9
• Total number of polymer chains: 1
• Total formula weight: 69275.98

Authors

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. (deposition date: 2014-08-12, release date: 2014-11-26, Last modification date: 2024-01-10)

• Primary citation: Pasquier, B.,El-Ahmad, Y.,Filoche-Romme, B.,Dureuil, 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.; Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-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

Experimental method

X-RAY DIFFRACTION (2.7 Å)