8BZP

JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety

8BZP の概要

• エントリーDOI: 10.2210/pdb8bzp/pdb
• 分子名称: Mitogen-activated protein kinase 10, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, 1,2-ETHANEDIOL, ... (9 entities in total)
• 機能のキーワード: fragment, cf2x, cf2br, halogen bond, 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: 87234.26

構造登録者

Stahlecker, J.,Vaas, S.,Stehle, T.,Boeckler, F.M. (登録日: 2022-12-15, 公開日: 2023-08-02, 最終更新日: 2023-08-23)

• 主引用文献: Vaas, S.,Zimmermann, M.O.,Schollmeyer, D.,Stahlecker, J.,Engelhardt, M.U.,Rheinganz, J.,Drotleff, B.,Olfert, M.,Lammerhofer, M.,Kramer, M.,Stehle, T.,Boeckler, F.M.; Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.; J.Med.Chem., 66:10202-10225, 2023; PubMed: 37487500; DOI: 10.1021/acs.jmedchem.3c00634

実験手法

X-RAY DIFFRACTION (1.86 Å)