6M95

Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1

6M95 の概要

• エントリーDOI: 10.2210/pdb6m95/pdb
• 分子名称: Mitogen-activated protein kinase 14, (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone (3 entities in total)
• 機能のキーワード: p38 map kinase inhibitors, sbdd, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 45044.17

構造登録者

Lane, W.,Okada, K. (登録日: 2018-08-22, 公開日: 2019-04-17, 最終更新日: 2024-03-13)

• 主引用文献: Kaieda, A.,Takahashi, M.,Fukuda, H.,Okamoto, R.,Morimoto, S.,Gotoh, M.,Miyazaki, T.,Hori, Y.,Unno, S.,Kawamoto, T.,Tanaka, T.,Itono, S.,Takagi, T.,Sugimoto, H.,Okada, K.,Snell, G.,Bertsch, R.,Nguyen, J.,Sang, B.C.,Miwatashi, S.; Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.; Chemmedchem, 14:1022-1030, 2019; PubMed: 30945818; DOI: 10.1002/cmdc.201900129

実験手法

X-RAY DIFFRACTION (1.8 Å)