4BFR

Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers

Summary for 4BFR

• Entry DOI: 10.2210/pdb4bfr/pdb
• Descriptor: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA 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 Keywords: transferase, inhibitor
• Biological source: MUS MUSCULUS (HOUSE MOUSE)
• Total number of polymer chains: 2
• Total formula weight: 218708.29

Authors

Certal, V.,Carry, J.C.,Halley, F.,Virone-Oddos, A.,Thompson, F.,Filoche-Romme, B.,El-Ahmad, Y.,Karlsson, A.,Charrier, V.,Delorme, C.,Rak, A.,Abecassis, P.Y.,Amara, C.,Vincent, L.,Bonnevaux, H.,Nicolas, J.P.,Mathieu, M.,Bertrand, T.,Marquette, J.P.,Michot, N.,Benard, T.,Perrin, M.A.,Perron, S.,Monget, S.,Gruss-Leleu, F.,Doerflinger, G.,Guizani, H.,Brollo, M.,Delbarre, L.,Bertin, L.,Richepin, P.,Loyau, V.,Garcia-Echeverria, C.,Lengauer, C.,Schio, L. (deposition date: 2013-03-22, release date: 2014-01-15, Last modification date: 2023-12-20)

• Primary citation: Certal, V.,Carry, J.B.,Halley, F.,Virone-Oddos, A.,Thompson, F.,Filoche-Romme, B.,El-Ahmad, Y.,Karlsson, A.,Charrier, V.,Delorme, C.,Rak, A.,Abecassis, P.,Amara, C.,Vincent, L.,Bonnevaux, H.,Nicolas, J.,Mathieu, M.,Bertrand, T.,Marquette, J.,Michot, N.,Benard, T.,Perrin, M.,Lemaitre, O.,Guerif, S.,Perron, S.,Monget, S.,Gruss-Leleu, F.,Doerflinger, G.,Guizani, H.,Brollo, M.,Delbarre, L.,Bertin, L.,Richepin, P.,Loyau, V.,Garcia-Echeverria, C.,Lengauer, C.,Schio, L.; Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.; J.Med.Chem., 57:903-, 2014; PubMed: 24387221; DOI: 10.1021/JM401642Q

Experimental method

X-RAY DIFFRACTION (2.8 Å)