4D0X

Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors

Summary for 4D0X

• Entry DOI: 10.2210/pdb4d0x/pdb
• Related: 4D0W
• Descriptor: TYROSINE-PROTEIN KINASE JAK2, 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: transferase, drug discovery, protein kinase inhibitors, structure-activity relationship, polycythemia vera, tumour cell proliferation inhibition, anti-cancer agents
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 1
• Total formula weight: 35671.83

Authors

Canevari, G.,Fasolini, M.,Bertrand, J.,Brasca, M.G.,Nesi, M.,Avanzi, N.,Ballinari, D.,Bandiera, T.,Bindi, S.,Carenzi, D.,Casero, D.,Ceriani, L.,Ciomei, M.,Cirla, A.,Colombo, M.,Cribioli, S.,Cristiani, C.,Della Vedova, F.,Fachin, G.,Felder, E.R.,Galvani, A.,Isacchi, A.,Mirizzi, D.,Motto, I.,Panzeri, A.,Pesenti, E.,Vianello, P.,Gnocchi, P.,Donati, D. (deposition date: 2014-04-30, release date: 2014-07-23, Last modification date: 2023-12-20)

• Primary citation: Brasca, M.G.,Nesi, M.,Avanzi, N.,Ballinari, D.,Bandiera, T.,Bertrand, J.,Bindi, S.,Canevari, G.,Carenzi, D.,Casero, D.,Ceriani, L.,Ciomei, M.,Cirla, A.,Colombo, M.,Cribioli, S.,Cristiani, C.,Della Vedova, F.,Fachin, G.,Fasolini, M.,Felder, E.R.,Galvani, A.,Isacchi, A.,Mirizzi, D.,Motto, I.,Panzeri, A.,Pesenti, E.,Vianello, P.,Gnocchi, P.,Donati, D.; Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.; Bioorg.Med.Chem., 22:4998-, 2014; PubMed: 25009002; DOI: 10.1016/J.BMC.2014.06.025

Experimental method

X-RAY DIFFRACTION (1.82 Å)