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Structure paper

TitlePyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Journal, issue, pagesBioorg. Med. Chem., Vol. 22, Page 4998-, Year 2014
Publish dateApr 30, 2014 (structure data deposition date)
AuthorsBrasca, M.G. / Nesi, M. / Avanzi, N. / Ballinari, D. / Bandiera, T. / Bertrand, J. / Bindi, S. / Canevari, G. / Carenzi, D. / Casero, D. ...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.
External linksBioorg. Med. Chem. / PubMed:25009002
MethodsX-ray diffraction
Resolution1.66 - 1.82 Å
Structure data

PDB-4d0w:
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-4d0x:
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-4d1s:
Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-VVQ:
5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide

ChemComp-HOH:
WATER

ChemComp-953:
5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

ChemComp-BJG:
2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / DRUG DISCOVERY / PROTEIN KINASE INHIBITORS / STRUCTURE-ACTIVITY RELATIONSHIP / POLYCYTHEMIA VERA / TUMOUR CELL PROLIFERATION INHIBITION / ANTI-CANCER AGENTS / KINASE / JAK2

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