4AWI

Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor.

4AWI の概要

• エントリーDOI: 10.2210/pdb4awi/pdb
• 関連するPDBエントリー: 1UKH 1UKI 2GMX 2H96 2XRW 2XS0
• 分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: transferase
• 由来する生物種: HOMO SAPIENS
• 細胞内の位置: Cytoplasm: P45983
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43147.89

構造登録者

Chung, C.,Vicentini, G.,Liddle, J.,Bamborough, P. (登録日: 2012-06-03, 公開日: 2013-05-01, 最終更新日: 2024-05-08)

主引用文献

Liddle, J.,Bamborough, P.,Barker, M.D.,Campos, S.,Chung, C.,Cousins, R.P.C.,Faulder, P.,Heathcote, M.L.,Hobbs, H.,Holmes, D.S.,Ioannou, C.,Ramirez-Molina, C.,Morse, M.A.,Osborn, R.,Payne, J.J.,Pritchard, J.M.,Rumsey, W.L.,Tape, D.T.,Vicentini, G.,Whitworth, C.,Williamson, R.A.
4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy.
Bioorg.Med.Chem.Lett., 22:5222-, 2012

PubMed Abstract: The lead optimization of a series of potent azaindole IKK2 inhibitors is described. Optimization of the human whole blood activity and selectivity over IKK1 in parallel led to the discovery of 16, a potent and selective IKK2 inhibitor showing good efficacy in a rat model of neutrophil activation.

PubMed: 22801646
DOI: 10.1016/J.BMCL.2012.06.065

実験手法

X-RAY DIFFRACTION (1.91 Å)