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Literature summary for 2.7.1.153 extracted from

  • Lin, H.; Erhard, K.; Hardwicke, M.A.; Luengo, J.I.; Mack, J.F.; McSurdy-Freed, J.; Plant, R.; Raha, K.; Rominger, C.M.; Sanchez, R.M.; Schaber, M.D.; Schulz, M.J.; Spengler, M.D.; Tedesco, R.; Xie, R.; Zeng, J.J.; Rivero, R.A.
    Synthesis and structure-activity relationships of imidazo[1,2-a]pyrimidin-5(1H)-ones as a novel series of beta isoform selective phosphatidylinositol 3-kinase inhibitors (2012), Bioorg. Med. Chem. Lett., 22, 2230-2234.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
docking of inhibitor TGX-221-R into a homology model of the PI3K-beta enzyme. The morpholine-oxygen accepts an H-bond from the hinge region Val854 while the pyrido-pyrimidinone template core interacts in the central pocket lined by Met926 and Ile residues 803, 851 and 936 from the N and C-terminal of the kinase domain Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
1-[2-methyl-3-(trifluoromethyl)benzyl]-2-methyl-7-(morpholin-4-yl)-6,7-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one
-
Homo sapiens
1-[2-methyl-3-(trifluoromethyl)benzyl]-7-(morpholin-4-yl)-6,7-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one
-
Homo sapiens
1-[2-methyl-3-(trifluoromethyl)benzyl]-7-[(2R)-2-methylmorpholin-2-yl]-6,7-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one
-
Homo sapiens
TGX-221-R R-enantiomer of inhibitor TGX-221, 100fold more potent as a PI3K-beta inhibitor than the S-enantiomer Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P42338 catalytic subunit beta isoform
-

Source Tissue

Source Tissue Comment Organism Textmining
MDA-MB-468 cell
-
Homo sapiens
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000001
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 1-[2-methyl-3-(trifluoromethyl)benzyl]-2-methyl-7-(morpholin-4-yl)-6,7-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one
0.000001
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 1-[2-methyl-3-(trifluoromethyl)benzyl]-7-[(2R)-2-methylmorpholin-2-yl]-6,7-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one
0.000003
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens 1-[2-methyl-3-(trifluoromethyl)benzyl]-7-(morpholin-4-yl)-6,7-dihydroimidazo[1,2-a]pyrimidin-5(1H)-one
0.000006
-
pH not specified in the publication, temperature not specified in the publication Homo sapiens TGX-221-R