6EBW

hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone

6EBW の概要

• エントリーDOI: 10.2210/pdb6ebw/pdb
• 関連するPDBエントリー: 6E0R
• 分子名称: ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone (3 entities in total)
• 機能のキーワード: inhibitor, complex, kinase, sbdd, transferase-inhibitor complex, transferase/inhibitor
• 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: 36494.85

構造登録者

Lane, W.,Saikatendu, K. (登録日: 2018-08-07, 公開日: 2019-05-01, 最終更新日: 2024-03-13)

• 主引用文献: Fushimi, M.,Fujimori, I.,Wakabayashi, T.,Hasui, T.,Kawakita, Y.,Imamura, K.,Kato, T.,Murakami, M.,Ishii, T.,Kikko, Y.,Kasahara, M.,Nakatani, A.,Hiura, Y.,Miyamoto, M.,Saikatendu, K.,Zou, H.,Lane, S.W.,Lawson, J.D.,Imoto, H.; Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.; J.Med.Chem., 62:4915-4935, 2019; PubMed: 31009559; DOI: 10.1021/acs.jmedchem.8b01630

実験手法

X-RAY DIFFRACTION (2.455 Å)