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79952363203
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A homology model of PI3Kα was constructed from the crystal structure of PI3K γ comlex with staurosporine (PDB:1E8Z)
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A homology model of PI3Kα was constructed from the crystal structure of PI3K γ comlex with staurosporine (PDB:1E8Z).
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7
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0033634827
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free values of 0.241/0.315 at 2.9 resolution, 0.250/0.316 at 2.5, and 0.236/0.290 at 2.5, respectively.
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79952362656
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WO Patent, 1083456
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10
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79952359572
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PDB ID code: 3APF
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PDB ID code: 3APF
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12
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79952364577
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R. Matthias, W. Stephan, and L. Thomas J. Comput. Aided Mater. Des. 10 1996 41 Virtually synthesized compounds from 4-chloro-2-morpholin-4-yl-7- pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine and available boronic acids having hydrogen bond donor/acceptor were scored by FlexSIS docking simulations and compounds with high FlexSIS scores were actually synthesized by Suzuki coupling. For example, the score of 2-aminopyrimidine-5-yl was -25.5 kJ/mol, and this was more highly prioritized than indoline-5-yl (-21.5 kJ/mol). We are publishing these details in the near future. Filed patent: WO Patent, 018426, 2008 (Filing date: Aug, 8, 2006)
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13
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79952360712
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PDB ID code: 3APD
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PDB ID code: 3APD
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14
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79952363139
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PDB ID code: 3APC
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PDB ID code: 3APC
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16
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79955983369
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The selective class i PI3K inhibitor CH5132799 targets human cancers harboring oncogenic PIK3CA mutations
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in press
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Tanaka, H.; Yoshida, M.; Tanimura, H.; Fujii, T.; Sakata, K.; Tachibana, Y.; Ohwada, J.; Ebiike, H.; Kuramoto, S.; Morita, K.; Yoshimura, Y.; Yamazaki, T.; Ishii, N.; Kondoh, O.; Aoki, Y. The selective class I PI3K inhibitor CH5132799 targets human cancers harboring oncogenic PIK3CA mutations; Clin. Cancer Res., in press.
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