Brand  (β version)

PDB ID: 4UWH

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Ligands
Code Name Style Show Link
JXM (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 PoSSuM
NA Sodium ion PoSSuM
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Structure summary

Code : 4UWH   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : 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
Release Data : 2014-11-26
Compound :
mol_id molecule chains synonym
1 PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 A PI3-KINASE TYPE 3, PI3K TYPE 3, PTDINS-3-KINASE TYPE 3, PHO SPHATIDYLINOSITOL 3-KINASE P100 SUBUNIT, PHOSPHOINOSITIDE-3-KINASE CLASS 3, HVPS34, PHOSPHOINOSITIDE 3-KINASE
ec: 2.7.1.137
fragment: VPS34 HELICAL AND KINASE DOMAINS, RESIDUES 282-879
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
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.
Keywords : TRANSFERASE, LIPID KINASE, AUTOPHAGY INHIBITOR
Exp. method : X-RAY DIFFRACTION ( 1.93 Å )
Citation :

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.

Pasquier, B.,El-Ahmad, Y.,Filoche-Romme, B.  et al.
(2015)  J.Med.Chem.  58 : 376

PubMed: 25402320
DOI: 10.1021/JM5013352

Reaction

Chain : A
UniProt : Q8NEB9 (PK3C3_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol) + ATP = a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol-3-phosphate) + ADP + H(+) 2.7.1.137 PubMed:7628435
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