2R9S

c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor

Summary for 2R9S

• Entry DOI: 10.2210/pdb2r9s/pdb
• Descriptor: Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, UNKNOWN ATOM OR ION, ... (6 entities in total)
• Functional Keywords: jnk3, signaling protein, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm : P53779
• Total number of polymer chains: 2
• Total formula weight: 84035.11

Authors

Habel, J. (deposition date: 2007-09-13, release date: 2007-10-16, Last modification date: 2023-08-30)

Primary citation

Jiang, R.,Duckett, D.,Chen, W.,Habel, J.,Ling, Y.Y.,LoGrasso, P.,Kamenecka, T.M.
3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 17:6378-6382, 2007

PubMed Abstract: The structure-based design and synthesis of a novel series of c-Jun N-terminal kinase (JNK) inhibitors with selectivity against p38 is reported. The unique structure of 3,5-disubstituted quinolines (2) was developed from the previously reported 4-(2,7-phenanthrolin-9-yl)phenol (1). The X-ray crystal structure of 16a in JNK3 reveals an unexpected binding mode for this new scaffold with protein.

PubMed: 17911023
DOI: 10.1016/j.bmcl.2007.08.054

Experimental method

X-RAY DIFFRACTION (2.4 Å)