3FV8

JNK3 bound to piperazine amide inhibitor, SR2774.

Summary for 3FV8

• Entry DOI: 10.2210/pdb3fv8/pdb
• Descriptor: Mitogen-activated protein kinase 10, 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: jnk3, protein-inhibitor complex, alternative splicing, atp-binding, chromosomal rearrangement, cytoplasm, epilepsy, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm : P53779
• Total number of polymer chains: 1
• Total formula weight: 41740.62

Authors

Habel, J.E. (deposition date: 2009-01-15, release date: 2009-04-07, Last modification date: 2023-09-06)

Primary citation

Shin, Y.,Chen, W.,Habel, J.,Duckett, D.,Ling, Y.Y.,Koenig, M.,He, Y.,Vojkovsky, T.,LoGrasso, P.,Kamenecka, T.M.
Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.
Bioorg.Med.Chem.Lett., 19:3344-3347, 2009

PubMed Abstract: A novel series of c-jun N-terminal kinase (JNK) inhibitors were designed and developed from a high-throughput-screening hit. Through the optimization of the piperazine amide 1, several potent compounds were discovered. The X-ray crystal structure of 4g showed a unique binding mode different from other well known JNK3 inhibitors.

PubMed: 19433357
DOI: 10.1016/j.bmcl.2009.03.086

Experimental method

X-RAY DIFFRACTION (2.28 Å)