3L1S

3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3

3L1S の概要

• エントリーDOI: 10.2210/pdb3l1s/pdb
• 分子名称: Glycogen synthase kinase-3 beta, (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: kinase, pyrazole, gsk3, atp-binding, nucleotide-binding, serine/threonine-protein kinase, wnt signaling pathway, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 93041.31

構造登録者

Haar, T.E. (登録日: 2009-12-14, 公開日: 2010-03-02, 最終更新日: 2024-04-03)

主引用文献

Arnost, M.,Pierce, A.,Haar, E.T.,Lauffer, D.,Madden, J.,Tanner, K.,Green, J.
3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.
Bioorg.Med.Chem.Lett., 20:1661-1664, 2010

PubMed Abstract: A series of 3-aryl-4-(arylhydrazono)-1H-pyrazol-5-one inhibitors of GSK3beta was developed from a low molecular weight, highly ligand efficient screening hit 1. Hit-to-lead optimization led to a number of highly potent inhibitors, while maintaining the high ligand efficiency of the screening hit.

PubMed: 20138514
DOI: 10.1016/j.bmcl.2010.01.072

実験手法

X-RAY DIFFRACTION (2.9 Å)