6Q6Y

PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide

6Q6Y の概要

• エントリーDOI: 10.2210/pdb6q6y/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide (3 entities in total)
• 機能のキーワード: pi3 kinase delta, complex, structure based design, transferase
• 由来する生物種: Mus musculus (House mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 108168.48

構造登録者

Convery, M.A.,Rowland, P.,Down, K.,Barton, N. (登録日: 2018-12-12, 公開日: 2018-12-26, 最終更新日: 2024-06-19)

主引用文献

Barton, N.,Convery, M.,Cooper, A.W.J.,Down, K.,Hamblin, J.N.,Inglis, G.,Peace, S.,Rowedder, J.,Rowland, P.,Taylor, J.A.,Wellaway, N.
Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach.
J.Med.Chem., 61:11061-11073, 2018

PubMed Abstract: A deconstruction of previously reported phosphoinositide 3-kinase δ (PI3Kδ) inhibitors and subsequent regrowth led to the identification of a privileged fragment for PI3Kδ, which was exploited to deliver a potent, efficient, and selective lead series with a novel binding mode observed in the PI3Kδ crystal structure.

PubMed: 30532965
DOI: 10.1021/acs.jmedchem.8b01556

実験手法

X-RAY DIFFRACTION (2.03 Å)