5T23

PI3Kg IN COMPLEX WITH 5d

5T23 の概要

• エントリーDOI: 10.2210/pdb5t23/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine (3 entities in total)
• 機能のキーワード: pi3kg, inhibitor, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : P48736
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 111133.55

構造登録者

Petersen, J.,Terstige, I.,Perry, M.,Svensson, T.,Tyrchan, C.,Lindmark, H.,Oster, L. (登録日: 2016-08-23, 公開日: 2017-04-19, 最終更新日: 2024-05-08)

主引用文献

Terstiege, I.,Perry, M.,Petersen, J.,Tyrchan, C.,Svensson, T.,Lindmark, H.,Oster, L.
Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27:679-687, 2017

PubMed Abstract: A novel class of potent PI3Kδ inhibitors with >1000-fold selectivity against other class I PI3K isoforms is described. Optimization of the substituents on a triazole aminopyrazine scaffold, emerging from an in-house PI3Kα program, turned moderately selective PI3Kδ compounds into highly potent and selective PI3Kδ inhibitors. These efforts resulted in a series of aminopyrazines with PI3Kδ IC⩽1nM in the enzyme assay, some of the most selective PI3Kδ inhibitors published to date, with a cell potency in a JeKo-cell assay of 20-120nM.

PubMed: 28017532
DOI: 10.1016/j.bmcl.2016.11.004

実験手法

X-RAY DIFFRACTION (2.78 Å)