3KCK

A Novel Chemotype of Kinase Inhibitors

Summary for 3KCK

• Entry DOI: 10.2210/pdb3kck/pdb
• Descriptor: Tyrosine-protein kinase JAK2, 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol (3 entities in total)
• Functional Keywords: kinase, inhibitor, jak2, janus kinase, atp-binding, chromosomal rearrangement, disease mutation, membrane, nucleotide-binding, phosphoprotein, polymorphism, proto-oncogene, sh2 domain, transferase, tyrosine-protein kinase
• Biological source: Homo sapiens (human)
• Cellular location: Endomembrane system; Peripheral membrane protein (By similarity): O60674
• Total number of polymer chains: 1
• Total formula weight: 37128.59

Authors

Zuccola, H.J.,Wang, T.,Ledeboer, M.W. (deposition date: 2009-10-21, release date: 2009-11-24, Last modification date: 2024-11-06)

Primary citation

Wang, T.,Ledeboer, M.W.,Duffy, J.P.,Pierce, A.C.,Zuccola, H.J.,Block, E.,Shlyakter, D.,Hogan, J.K.,Bennani, Y.L.
A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 20:153-156, 2010

PubMed Abstract: Pictet-Spengler condensation of aldehydes or alpha-keto-esters with 4-(2-anilinophenyl)-7-azaindole (11) or deazapurine (12) gave high yields of the 3,4-fused cyclic compounds. SAR studies, by varying the substituted benzaldehyde components, lead to the discovery of a series of potent JAK2 kinase inhibitors.

PubMed: 19945871
DOI: 10.1016/j.bmcl.2009.11.021

Experimental method

X-RAY DIFFRACTION (2.2 Å)