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TitleSynthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 7142-7156, Year 2009
Publish dateSep 11, 2009 (structure data deposition date)
AuthorsNolan, K.A. / Doncaster, J.R. / Dunstan, M.S. / Scott, K.A. / Frenkel, A.D. / Siegel, D. / Ross, D. / Barnes, J. / Levy, C. / Leys, D. ...Nolan, K.A. / Doncaster, J.R. / Dunstan, M.S. / Scott, K.A. / Frenkel, A.D. / Siegel, D. / Ross, D. / Barnes, J. / Levy, C. / Leys, D. / Whitehead, R.C. / Stratford, I.J. / Bryce, R.A.
External linksJ. Med. Chem. / PubMed:19877692
MethodsX-ray diffraction
Resolution2.45 Å
Structure data

PDB-3jsx:
X-ray Crystal structure of NAD(P)H: Quinone Oxidoreductase-1 (NQO1) bound to the coumarin-based inhibitor AS1
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-CC2:
4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / coumarin-based inhibitors / NQ01 / FAD / Flavoprotein / NAD / NADP

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