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Structure paper

TitleOptimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 4606-4612, Year 2016
Publish dateJul 29, 2016 (structure data deposition date)
AuthorsGarton, N.S. / Barker, M.D. / Davis, R.P. / Douault, C. / Hooper-Greenhill, E. / Jones, E. / Lewis, H.D. / Liddle, J. / Lugo, D. / McCleary, S. ...Garton, N.S. / Barker, M.D. / Davis, R.P. / Douault, C. / Hooper-Greenhill, E. / Jones, E. / Lewis, H.D. / Liddle, J. / Lugo, D. / McCleary, S. / Preston, A.G. / Ramirez-Molina, C. / Neu, M. / Shipley, T.J. / Somers, D.O. / Watson, R.J. / Wilson, D.M.
External linksBioorg. Med. Chem. Lett. / PubMed:27578246
MethodsX-ray diffraction
Resolution1.43 - 1.95 Å
Structure data

PDB-5lma:
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-5lmb:
HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-6ZG:
~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-6ZF:
7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Inhibitor / Complex / Kinase

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