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TitleDiscovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1836-1841, Year 2015
Publish dateJan 21, 2015 (structure data deposition date)
AuthorsMcElroy, W.T. / Michael Seganish, W. / Jason Herr, R. / Harding, J. / Yang, J. / Yet, L. / Komanduri, V. / Prakash, K.C. / Lavey, B. / Tulshian, D. ...McElroy, W.T. / Michael Seganish, W. / Jason Herr, R. / Harding, J. / Yang, J. / Yet, L. / Komanduri, V. / Prakash, K.C. / Lavey, B. / Tulshian, D. / Greenlee, W.J. / Sondey, C. / Fischmann, T.O. / Niu, X.
External linksBioorg. Med. Chem. Lett. / PubMed:25870132
MethodsX-ray diffraction
Resolution2.73 Å
Structure data

PDB-4xs2:
Irak4-inhibitor co-structure
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

Chemicals

ChemComp-42P:
(1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol

ChemComp-HOH:
WATER

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

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