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 Cited by PubMed: 24387221DOI: 10.1021/JM401642Q PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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