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4V0I

Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta

Summary for 4V0I
Entry DOI10.2210/pdb4v0i/pdb
DescriptorPHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM, 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE (3 entities in total)
Functional Keywordstransferase, pi3k, kinase selectivity
Biological sourceMUS MUSCULUS (HOUSE MOUSE)
Total number of polymer chains2
Total formula weight216356.13
Authors
Robinson, D.,Bertrand, T.,Carry, J.C.,Halley, F.,Karlsson, A.,Mathieu, M.,Minoux, H.,Perrin, M.A.,Robert, B.,Schio, L.,Sherman, W. (deposition date: 2014-09-16, release date: 2015-09-30, Last modification date: 2024-01-10)
Primary citationRobinson, D.,Bertrand, T.,Carry, J.,Halley, F.,Karlsson, A.,Mathieu, M.,Minoux, H.,Perrin, M.,Robert, B.,Schio, L.,Sherman, W.
Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications.
J.Chem.Inf.Model., 56:886-, 2016
Cited by
PubMed: 27144736
DOI: 10.1021/ACS.JCIM.5B00641
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.54 Å)
Structure validation

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