4ZIM

CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR

Summary for 4ZIM

• Entry DOI: 10.2210/pdb4zim/pdb
• Descriptor: Tyrosine-protein kinase JAK2, 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide (3 entities in total)
• Functional Keywords: kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Endomembrane system ; Peripheral membrane protein : O60674
• Total number of polymer chains: 2
• Total formula weight: 76670.61

Authors

Sack, J.S. (deposition date: 2015-04-28, release date: 2015-06-03, Last modification date: 2024-10-23)

Primary citation

Zimmermann, K.,Sang, X.,Mastalerz, H.A.,Johnson, W.L.,Zhang, G.,Liu, Q.,Batt, D.,Lombardo, L.J.,Vyas, D.,Trainor, G.L.,Tokarski, J.S.,Lorenzi, M.V.,You, D.,Gottardis, M.M.,Lippy, J.,Khan, J.,Sack, J.S.,Purandare, A.V.
9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 25:2809-2812, 2015

PubMed Abstract: The discovery, synthesis, and characterization of 9H-carbazole-1-carboxamides as potent and selective ATP-competitive inhibitors of Janus kinase 2 (JAK2) are discussed. Optimization for JAK family selectivity led to compounds 14 and 21, with greater than 45-fold selectivity for JAK2 over all other members of the JAK kinase family.

PubMed: 25987372
DOI: 10.1016/j.bmcl.2015.04.101

Experimental method

X-RAY DIFFRACTION (2.65 Å)