3P2B

Crystal Structure of PI3K gamma with 3-(2-morpholino-6-(pyridin-3-ylamino)pyrimidin-4-yl)phenol

3P2B の概要

• エントリーDOI: 10.2210/pdb3p2b/pdb
• 分子名称: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol (3 entities in total)
• 機能のキーワード: pi3-kinase p110 subunit gamma, transferase, lipid kinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 111105.55

構造登録者

Knapp, M.S.,Elling, R.A.,Ornelas, E. (登録日: 2010-10-01, 公開日: 2011-08-17, 最終更新日: 2024-02-21)

主引用文献

Pecchi, S.,Renhowe, P.A.,Taylor, C.,Kaufman, S.,Merritt, H.,Wiesmann, M.,Shoemaker, K.R.,Knapp, M.S.,Ornelas, E.,Hendrickson, T.F.,Fantl, W.,Voliva, C.F.
Identification and structure-activity relationship of 2-morpholino 6-(3-hydroxyphenyl) pyrimidines, a class of potent and selective PI3 kinase inhibitors.
Bioorg.Med.Chem.Lett., 20:6895-6898, 2010

PubMed Abstract: PI3 Kinases are a family of lipid kinases mediating numerous cell processes such as proliferation, migration, and differentiation. The PI3 kinase pathway is often de-regulated in cancer through PI3Kα overexpression, gene amplification, mutations, and PTEN phosphatase deletion. PI3K inhibitors represent therefore an attractive therapeutic modality for cancer treatment. Herein we describe a novel series of PI3K inhibitors sharing a pyrimidine core and showing significant potency against class I PI3 kinases in the biochemical assay and in cells. The discovery, synthesis and SAR of this chemotype are described.

PubMed: 21035331
DOI: 10.1016/j.bmcl.2010.10.021

実験手法

X-RAY DIFFRACTION (3.2 Å)