7K7O

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide

7K7O の概要

• エントリーDOI: 10.2210/pdb7k7o/pdb
• 分子名称: Non-receptor tyrosine-protein kinase TYK2, 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide (3 entities in total)
• 機能のキーワード: kinase, tyk2, pseudokinase, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 71837.19

構造登録者

Khan, J.A. (登録日: 2020-09-23, 公開日: 2021-08-04, 最終更新日: 2023-10-18)

• 主引用文献: Liu, C.,Lin, J.,Langevine, C.,Smith, D.,Li, J.,Tokarski, J.S.,Khan, J.,Ruzanov, M.,Strnad, J.,Zupa-Fernandez, A.,Cheng, L.,Gillooly, K.M.,Shuster, D.,Zhang, Y.,Thankappan, A.,McIntyre, K.W.,Chaudhry, C.,Elzinga, P.A.,Chiney, M.,Chimalakonda, A.,Lombardo, L.J.,Macor, J.E.,Carter, P.H.,Burke, J.R.,Weinstein, D.S.; Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.; J.Med.Chem., 64:677-694, 2021; PubMed: 33370104; DOI: 10.1021/acs.jmedchem.0c01698

実験手法

X-RAY DIFFRACTION (2.82 Å)