Summary
PDB 3DA6 deposited: 2008-05-28 modified: 2009-01-06
Title Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
Authors Bak, A., Bellon, S., Bready, J., Caenepeel, S., Cee, V.J., Cheng, A.C., Coxon, A., Deak, H.L., Fretland, J., Geuns-Meyer, S., Gu, Y., Hodous, B.L., Huang, X., Hughes, P., Kim, J.L., Lin, J., Long, A.M., Mohr, C., Nguyen, H., Olivieri, P.R., Patel, V.F., Romero, K., Wang, L., Whittington, D.A., Zhou, Y.
Method X-RAY DIFFRACTION
Structure factors resolution 2.0 rfactor 0.256 rfree 0.31951
DPI 0.58 theoretical min: 0.26
Related PDB Entries 3EFW 3EWH
Citations

Selective small molecule inhibitors of Tie-2 kinase are important tools for the validation of Tie-2 signaling in pathological angiogenesis. Reported herein is the optimization of a nonselective scaffold into a potent and highly selective inhibitor of Tie-2 kinase.

Bioorg.Med.Chem.Lett. 2009 Jan; 19(2):424-427 doi:10.1016/j.bmcl.2008.11.056

Cross References
Database source Identifier Description
ChEMBL Document CHEMBL1154530
PubMed 19062275 BMCLE8
Biomolecule Structure Assembly Serial Assembly Type Conformational State Chains Ligands Atoms
3DA6/0 3DA6 0 monomer 0 1 1 2495