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Structure paper

TitleStructure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.
Journal, issue, pagesBioorg. Med. Chem., Vol. 23, Page 4442-4452, Year 2015
Publish dateJan 7, 2015 (structure data deposition date)
AuthorsKnez, D. / Brus, B. / Coquelle, N. / Sosic, I. / Sink, R. / Brazzolotto, X. / Mravljak, J. / Colletier, J.P. / Gobec, S.
External linksBioorg. Med. Chem. / PubMed:26116179
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-4xii:
X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-40V:
N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-FUL:
beta-L-fucopyranose

ChemComp-FUC:
alpha-L-fucopyranose

ChemComp-CL:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / anti-alzherimer / huBuche / human butyrylcholinesterase / metal chelator / abeta peptide / ab aggregation

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