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TitlePF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 1961-1966, Year 2013
Publish dateAug 1, 2012 (structure data deposition date)
AuthorsDounay, A.B. / Anderson, M. / Bechle, B.M. / Evrard, E. / Gan, X. / Kim, J.Y. / McAllister, L.A. / Pandit, J. / Rong, S. / Salafia, M.A. ...Dounay, A.B. / Anderson, M. / Bechle, B.M. / Evrard, E. / Gan, X. / Kim, J.Y. / McAllister, L.A. / Pandit, J. / Rong, S. / Salafia, M.A. / Tuttle, J.B. / Zawadzke, L.E. / Verhoest, P.R.
External linksBioorg. Med. Chem. Lett. / PubMed:23466229
MethodsX-ray diffraction
Resolution2.15 Å
Structure data

PDB-4geb:
Kynurenine Aminotransferase II Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-0LD:
(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Aminotransferase / irreversible inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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