Brand  (β version)

PDB ID: 6EZG

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Ligands
Code Name Style Show Link
C6K 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one PoSSuM
PEG Di(hydroxyethyl)ether PoSSuM
Non-standard Residues
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Glycosylation
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NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
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Structure summary

Code : 6EZG   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Torpedo californica AChE in complex with indolic multi-target directed ligand
Release Data : 2018-11-21
Compound :
mol_id molecule chains synonym
1 Acetylcholinesterase A,B AChE
ec: 3.1.1.7
Source :
mol_id organism_scientific organism_common
1 Tetronarce californica  (taxid:7787) Pacific electric ray
Authors : Santoni, G., Lalut, J., Karila, D., Lecoutey, C., Davis, A., Nachon, F., Sillman, I., Sussman, J., Weik, M., Maurice, T., Dallemagne, P., Rochais, C.
Keywords : Acetylcholinesterase, Multi-target inhibitor, Alzheimer desease, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.200 Å )
Citation :

Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.

Lalut, J.,Santoni, G.,Karila, D.  et al.
(2018)  Eur J Med Chem  162 : 234 - 248

PubMed: 30447434
DOI: 10.1016/j.ejmech.2018.10.064

Reaction

Chain : A, B
UniProt : P04058 (ACES_TETCF)
Reaction: EC: Evidence:
Physiological Direction:
acetylcholine + H2O = acetate + choline + H(+) 3.1.1.7 -
-