Protein Information

ID 88
Name Acetylcholinesterase
Synonyms ACHE; ACHE protein; AChE; ARACHE; AcChoEase; Acetylcholine acetylhydrolase; Acetylcholinesterase; Acetylcholinesterase isoform E4 E6 variant…

Compound Information

ID 730
Name OCH
CAS 2,3,4,4,5,5,6,6-octachloro-2-cyclohexen-1-one

Reference

PubMed Abstract RScore(About this table)
18666002 Ghadimi S, Valmoozi AA, Pourayoubi M, Samani KA: Structure-activity study of phosphoramido acid esters as acetylcholinesterase inhibitors. J Enzyme Inhib Med Chem. 2008 Aug;23(4):556-61.
Phosphoramido acid esters (CH (3))(2) NP (O) X (p-OC (6) H (4)-CH (3)) (containing P-Cl (1), P-O (2), P-F (3), P-CN (5), and P-N (4,6) bonds, X for 2, 4 and 6 is OCH (3), (C (2) H (5))(2) N and morpholin) have been synthesized to investigate the structure-activity study of AChE enzyme inhibition, through the parameters logP, delta (31) P and IC (50). After their characterization by (31) P, (31) P{(1) H}, (13) C, (1) H NMR, IR and mass spectroscopy, the parameters logP and delta (31) P ((31) P chemical shift in NMR) were used to evaluated the lipophilicity and electronical properties. The ability of compounds to inhibit human AChE was predicted by PASS software (version 1.193), and experimentally evaluated by a modified Ellman's assay.
83(1,1,1,3)