PDB 3FV8 deposited: 2009-01-15 modified: 2009-06-30
Title JNK3 bound to piperazine amide inhibitor, SR2774.
Authors Chen, W., Duckett, D., Habel, J., He, Y., Kamenecka, T.M., Koenig, M., Ling, Y.Y., LoGrasso, P., Shin, Y., Vojkovsky, T.
Structure factors resolution 2.28 rfactor 0.1949 rfree 0.2844
DPI 1.04 theoretical min: 0.32

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.

Bioorg.Med.Chem.Lett. 2009 Jun; 19(12):3344-3347 doi:10.1016/j.bmcl.2009.03.086

Cross References
Database source Identifier Description
ChEMBL Document CHEMBL1782035
PubMed 19433357 BMCLE8
Biomolecule Structure Assembly Serial Assembly Type Conformational State Chains Ligands Atoms
3FV8/0 3FV8 0 monomer 0 1 6 2609