2NO3

Novel 4-anilinopyrimidines as potent JNK1 Inhibitors

Summary for 2NO3

• Entry DOI: 10.2210/pdb2no3/pdb
• Related: 2g01 2gmx 2h96
• Descriptor: Mitogen-activated protein kinase 8, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, SULFATE ION, ... (4 entities in total)
• Functional Keywords: jnk1, c-jun n-terminal kinase, jnk1 inhibitors, anilinopyrimidines jnk1 inhibitors, signaling protein-inhibitor complex, signaling protein/inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm : P45983
• Total number of polymer chains: 4
• Total formula weight: 89557.26

Authors

Abad-Zapatero, C. (deposition date: 2006-10-24, release date: 2007-04-17, Last modification date: 2023-08-30)

Primary citation

Liu, M.,Wang, S.,Clampit, J.E.,Gum, R.J.,Haasch, D.L.,Rondinone, C.M.,Trevillyan, J.M.,Abad-Zapatero, C.,Fry, E.H.,Sham, H.L.,Liu, G.
Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
Bioorg.Med.Chem.Lett., 17:668-672, 2007

PubMed Abstract: A new series of 4-anilinopyrimidines has been synthesized and evaluated as JNK1 inhibitors. SAR studies led to the discovery of potent JNK1 inhibitors with good enzymatic activity as well as cellular potency represented by compound 2b. Kinase selectivity profile and the crystal structure of 2b are also described.

PubMed: 17107797
DOI: 10.1016/j.bmcl.2006.10.093

Experimental method

X-RAY DIFFRACTION (3.2 Å)