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TitleEfforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 4250-4255, Year 2016
Publish dateJul 20, 2016 (structure data deposition date)
AuthorsHanisak, J. / Seganish, W.M. / McElroy, W.T. / Tang, H. / Zhang, R. / Tsui, H.C. / Fischmann, T. / Tulshian, D. / Tata, J. / Sondey, C. ...Hanisak, J. / Seganish, W.M. / McElroy, W.T. / Tang, H. / Zhang, R. / Tsui, H.C. / Fischmann, T. / Tulshian, D. / Tata, J. / Sondey, C. / Devito, K. / Fossetta, J. / Garlisi, C.G. / Lundell, D. / Niu, X.
External linksBioorg. Med. Chem. Lett. / PubMed:27476420
MethodsX-ray diffraction
Resolution2.671 - 2.8 Å
Structure data

PDB-5kx7:
Irak4-inhibitor co-structure
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-5kx8:
Irak4-inhibitor co-structure
Method: X-RAY DIFFRACTION / Resolution: 2.671 Å

Chemicals

ChemComp-6YD:
~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

ChemComp-6YE:
~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE inhibitor / KINASE / PHOSPHATASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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