Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM11683
Substrate
BDBM8959
Meas. Tech.
Cholinesterase Inhibition Assay
pH
8±n/a
Temperature
295.15±n/a K
IC50
1740±n/a nM
Citation
Bartolucci, C; Siotto, M; Ghidini, E; Amari, G; Bolzoni, PT; Racchi, M; Villetti, G; Delcanale, M; Lamba, D Structural determinants of Torpedo californica acetylcholinesterase inhibition by the novel and orally active carbamate based anti-alzheimer drug ganstigmine (CHF-2819). J Med Chem 49:5051-8 (2006) [PubMed] Article
More Info.:
Target
Name:
Acetylcholinesterase
Synonyms:
3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ache
Type:
n/a
Mol. Mass.:
65900.74
Organism:
Tetronarce californica (Pacific electric ray) (Torpedo californica)
Description:
P04058
Residue:
586
Sequence:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
Inhibitor
Name:
BDBM11683
Synonyms:
(3aS,8aS)-1,3a,8-trimethyl-5-[(methylcarbamoyl)oxy]-1-oxido-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-1-ium hydrochloride | Geneserine (N-oxide) | Geneserine.HCl
Type:
Small organic molecule
Emp. Form.:
C15H21N3O3
Mol. Mass.:
291.3455
SMILES:
[H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
Substrate
Name:
BDBM8959
Synonyms:
(2-Mercaptoethyl)trimethylammonium iodide acetate | ATC | Acetylthiocholine | [2-(acetylsulfanyl)ethyl]trimethylazanium iodide | acetylthiocholine chloride | acetylthiocholine iodide
Type:
Small organic molecule
Emp. Form.:
C7H16NOS
Mol. Mass.:
162.272
SMILES:
CC(=O)SCC[N+](C)(C)C