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TitleDiscovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 8167-8179, Year 2014
Publish dateJun 7, 2014 (structure data deposition date)
AuthorsBrus, B. / Kosak, U. / Turk, S. / Pislar, A. / Coquelle, N. / Kos, J. / Stojan, J. / Colletier, J.P. / Gobec, S.
External linksJ. Med. Chem. / PubMed:25226236
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-4tpk:
Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

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

ChemComp-3F9:
N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / butyrylcholinesterase inhibition

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