5WO4

JAK1 complexed with compound 28

5WO4 の概要

• エントリーDOI: 10.2210/pdb5wo4/pdb
• 分子名称: Tyrosine-protein kinase JAK1, 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide (3 entities in total)
• 機能のキーワード: protein tyrosine kinase, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Endomembrane system; Peripheral membrane protein: P23458
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 70244.81

構造登録者

Lesburg, C.A.,Patel, S.B. (登録日: 2017-08-01, 公開日: 2017-12-06, 最終更新日: 2024-03-06)

• 主引用文献: Siu, T.,Brubaker, J.,Fuller, P.,Torres, L.,Zeng, H.,Close, J.,Mampreian, D.M.,Shi, F.,Liu, D.,Fradera, X.,Johnson, K.,Bays, N.,Kadic, E.,He, F.,Goldenblatt, P.,Shaffer, L.,Patel, S.B.,Lesburg, C.A.,Alpert, C.,Dorosh, L.,Deshmukh, S.V.,Yu, H.,Klappenbach, J.,Elwood, F.,Dinsmore, C.J.,Fernandez, R.,Moy, L.,Young, J.R.; The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.; J. Med. Chem., 60:9676-9690, 2017; PubMed: 29156136; DOI: 10.1021/acs.jmedchem.7b01135

実験手法

X-RAY DIFFRACTION (1.84 Å)