Summary
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.
Method X-RAY DIFFRACTION
Structure factors resolution 2.28 rfactor 0.1949 rfree 0.2844
DPI 1.04 theoretical min: 0.32
Citations

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