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TitleHuprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography.
Journal, issue, pagesChemmedchem, Vol. 7, Page 400-, Year 2012
Publish dateSep 14, 2011 (structure data deposition date)
AuthorsRonco, C. / Carletti, E. / Colletier, J. / Weik, M. / Nachon, F. / Jean, L. / Renard, P.
External linksChemmedchem / PubMed:22052791
MethodsX-ray diffraction
Resolution2.65 Å
Structure data

PDB-4a16:
Structure of mouse Acetylcholinesterase complex with Huprine derivative
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-H34:
(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

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

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE

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