3ZRM

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

3ZRM の概要

• エントリーDOI: 10.2210/pdb3zrm/pdb
• 関連するPDBエントリー: 1GNG 1H8F 1I09 1J1B 1J1C 1O6K 1O6L 1O9U 1PYX 1Q3D 1Q3W 1Q41 1Q4L 1Q5K 1R0E 1UV5 2JDO 2JDR 2JLD 2UW9 2X37 2X39 2XH5 3ZRK 3ZRL
• 分子名称: GLYCOGEN SYNTHASE KINASE-3 BETA, PROTO-ONCOGENE FRAT1, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: transferase-peptide complex, kinase, transferase/peptide
• 由来する生物種: HOMO SAPIENS (HUMAN); 詳細
• 細胞内の位置: Cytoplasm: P49841 Q92837
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 93018.40

構造登録者

Gentile, G.,Bernasconi, G.,Pozzan, A.,Merlo, G.,Marzorati, P.,Bamborough, P.,Bax, B.,Bridges, A.,Brough, C.,Carter, P.,Cutler, G.,Neu, M.,Takada, M. (登録日: 2011-06-17, 公開日: 2011-06-29, 最終更新日: 2024-10-16)

主引用文献

Gentile, G.,Bernasconi, G.,Pozzan, A.,Merlo, G.,Marzorati, P.,Bamborough, P.,Bax, B.,Bridges, A.,Brough, C.,Carter, P.,Cutler, G.,Neu, M.,Takada, M.
Identification of 2-(4-Pyridyl)Thienopyridinones as Gsk-3Beta Inhibitors.
Bioorg.Med.Chem.Lett., 21:4823-, 2011

PubMed Abstract: The discovery of a novel series of 2-(4-pyridyl)thienopyridinone GSK-3β inhibitors is reported. X-ray crystallography reveals its binding mode and enables rationalization of the SAR. The initial optimization of the template for improved cellular activity and predicted CNS penetration is also presented.

PubMed: 21764580
DOI: 10.1016/J.BMCL.2011.06.050

実験手法

X-RAY DIFFRACTION (2.49 Å)