8BZP

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

Summary for 8BZP

Entry DOI	10.2210/pdb8bzp/pdb
Descriptor	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)
Functional Keywords	fragment, cf2x, cf2br, halogen bond, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	87234.26
Authors	Stahlecker, J.,Vaas, S.,Stehle, T.,Boeckler, F.M. (deposition date: 2022-12-15, release date: 2023-08-02, Last modification date: 2023-08-23)
Primary citation	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 Cited by PubMed: 37487500 DOI: 10.1021/acs.jmedchem.3c00634 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.86 Å)

Structure validation