6FTN

mPI3Kd IN COMPLEX WITH AZ2

6FTN の概要

• エントリーDOI: 10.2210/pdb6ftn/pdb
• 分子名称: Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide (3 entities in total)
• 機能のキーワード: mi3kd, 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: 108136.09

構造登録者

Petersen, J. (登録日: 2018-02-22, 公開日: 2018-06-20, 最終更新日: 2024-05-01)

主引用文献

Pemberton, N.,Mogemark, M.,Arlbrandt, S.,Bold, P.,Cox, R.J.,Gardelli, C.,Holden, N.S.,Karabelas, K.,Karlsson, J.,Lever, S.,Li, X.,Lindmark, H.,Norberg, M.,Perry, M.W.D.,Petersen, J.,Rodrigo Blomqvist, S.,Thomas, M.,Tyrchan, C.,Westin Eriksson, A.,Zlatoidsky, P.,Oster, L.
Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61:5435-5441, 2018

PubMed Abstract: In this paper, we describe the discovery and optimization of a new chemotype of isoform selective PI3Kγ inhibitors. Starting from an HTS hit, potency and physicochemical properties could be improved to give compounds such as 15, which is a potent and remarkably selective PI3Kγ inhibitor with ADME properties suitable for oral administration. Compound 15 was advanced into in vivo studies showing dose-dependent inhibition of LPS-induced airway neutrophilia in rats when administered orally.

PubMed: 29852070
DOI: 10.1021/acs.jmedchem.8b00447

実験手法

X-RAY DIFFRACTION (2 Å)