4UWF

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 4UWF

Related4UWG
DescriptorPHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (3 entities in total)
Functional Keywordstransferase
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight69013.74
Authors
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 (PDB entries with the same primary citation)
DOI: 10.1021/JM5013352
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.99 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2412 0.2% 4.4% 6.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
171916
PDB entries from 2020-12-02