4D1S
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Summary for 4D1S
Entry DOI | 10.2210/pdb4d1s/pdb |
Related | 4D0W 4D0X |
Descriptor | TYROSINE-PROTEIN KINASE JAK2, 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide (3 entities in total) |
Functional Keywords | transferase, kinase, jak2, 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 | 35714.03 |
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: 2014-05-05, 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 Cited by PubMed: 25009002DOI: 10.1016/J.BMC.2014.06.025 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.66 Å) |
Structure validation
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