4D0W

Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors

Summary for 4D0W

• Entry DOI: 10.2210/pdb4d0w/pdb
• Related: 4D0X 4D1S
• Descriptor: TYROSINE-PROTEIN KINASE JAK2, GLYCEROL, 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, ... (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: 35617.85

Authors

Bertrand, J.,Canevari, G.,Fasolini, M.,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 (1.77 Å)