EC Number   |
Inhibitors |
Structure |
|---|
   2.3.1.6 | 1-(azepan-1-yl)-3-[(8-ethyl-4a,5-dihydro-4H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propan-1-one |
the amide carbonyl of the compound forms a hydrogen bond with the Ser540 amino acid residue of ChAT with a distance of 2.15 A. The 5H-[1,2,4]triazino[5,6-b]indole nucleus forms a hydrogen bond with the Gly329 amino acid residue of ChAT active site |
   |
| 2.3.1.6 | 1-[2-[(naphthalen-1-yl)amino]-1,3-thiazole-4-carbonyl]-N-(propan-2-yl)piperidine-4-carboxamide |
the terminal amide carbonyl forms a hydrogen bond with Ser438 at a distance of 1.88 A, while the thiazole nucleus forms pi_pi interactions with the Tyr436 amino acid residue of the active site of ChAT |
|
| 2.3.1.6 | 2-(alpha-naphthoyl) ethyltrimethylammonium iodide |
i.e. alpha-NETA, commercially available inhibitor. The naphthyl group forms pi-pi interaction with residue Tyr552, while the quaternary trimethyl ammonium moiety is closely surrounded by His324, Pro98, Asp328 residues. The naphthyl moiety is accommodated in a pocket consisting of Asn95, Pro554, Gly553, Thr539, and Ser538 residues. The determined IC50 values are 34.18 microM for acetylcholinesterase and 33.30 microM for butanoylcholinesterase |
|
| 2.3.1.6 | 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(propan-2-yl)phenyl]ethan-1-one |
compound makes the His324 residue inaccessible for the catalysis |
|
| 2.3.1.6 | 3-Bromoacetonyltrimethylammonium bromide |
- |
|
| 2.3.1.6 | 3-Bromoacetonyltrimethylammonium ion |
- |
|
| 2.3.1.6 | 3-Chloro-4-stilbazole |
- |
|
| 2.3.1.6 | 3-trimethylammoniomethylcatechol |
- |
|
| 2.3.1.6 | 4-(1-Naphthylvinyl)pyridine |
- |
|
| 2.3.1.6 | 5,5'-dithiobis(2-nitrobenzoate) |
- |
|
