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 | 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 | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P42338 | catalytic subunit beta isoform | - |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
MDA-MB-468 cell | - |
Homo sapiens | - |
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 |