4AJW

Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers

Summary for 4AJW

• Entry DOI: 10.2210/pdb4ajw/pdb
• Related: 2WXE 2WXF 2WXG 2WXH 2WXI 2WXJ 2WXK 2WXL 2WXM 2WXN 2WXO 2WXP 2WXQ 2WXR 2X38
• Descriptor: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM, 2-[(1-methyl-1H-benzimidazol-2-yl)methyl]-6-morpholin-4-ylpyrimidin-4(3H)-one (3 entities in total)
• Functional Keywords: transferase, p110d
• Biological source: MUS MUSCULUS (HOUSE MOUSE)
• Total number of polymer chains: 2
• Total formula weight: 215070.78

Authors

Certal, V.,Halley, F.,Virone-Oddos, A.,Delorme, C.,Karlsson, A.,Rak, A.,Thompson, F.,Filoche-Romme, B.,El-Ahmad, Y.,Carry, J.C.,Abecassis, P.Y.,Lejeune, P.,Bonnevaux, H.,Nicolas, J.P.,Bertrand, T.,Marquette, J.P.,Michot, N.,Benard, T.,Below, P.,Vade, I.,Chatreaux, F.,Lebourg, G.,Pilorge, F.,Angouillant-Boniface, O.,Louboutin, A.,Lengauer, C.,Schio, L. (deposition date: 2012-02-20, release date: 2012-05-16, Last modification date: 2023-12-20)

• Primary citation: Certal, V.,Halley, F.,Virone-Oddos, A.,Delorme, C.,Karlsson, A.,Rak, A.,Thompson, F.,Filoche-Romm, B.,El-Ahmad, Y.,Carry, J.C.,Abecassis, P.Y.,Lejeune, P.,Vincent, L.,Bonnevaux, H.,Nicolas, J.P.,Bertrand, T.,Marquette, J.P.,Michot, N.,Benard, T.,Below, P.,Vade, I.,Chatreaux, F.,Lebourg, G.,Pilorge, F.,Angouillant-Boniface, O.,Louboutin, A.,Lengauer, C.,Schio, L.; Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.; J.Med.Chem., 55:4788-, 2012; PubMed: 22524426; DOI: 10.1021/JM300241B

Experimental method

X-RAY DIFFRACTION (2.8 Å)