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Target
Acetylcholinesterase
Ligand
BDBM10489
Substrate
BDBM8959
Meas. Tech.
Enzyme Inhibition Assay
pH
7.8±n/a
Temperature
295.15±n/a K
IC50
12±n/a nM
Citation
 Doucet-Personeni, C; Bentley, PD; Fletcher, RJ; Kinkaid, A; Kryger, G; Pirard, B; Taylor, A; Taylor, R; Taylor, J; Viner, R; Silman, I; Sussman, JL; Greenblatt, HM; Lewis, T A structure-based design approach to the development of novel, reversible AChE inhibitors. J Med Chem 44:3203-15 (2001) [PubMed]  Article 
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:
BDBM10489
Synonyms:
1-(5-{[(1-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)amino]methyl}thien-2-yl)-2,2,2-trifluoroethanone | 1-{5-[({1-chloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11-yl}amino)methyl]thiophen-2-yl}-2,2,2-trifluoroethan-1-one | N-Alkylated Tacrine Analogue 4
Type:
Small organic molecule
Emp. Form.:
C21H18ClF3N2OS
Mol. Mass.:
438.894
SMILES:
FC(F)(F)C(=O)c1ccc(CNc2c3CCCCCc3nc3cccc(Cl)c23)s1
Structure:
Search PDB for entries with ligand similarity:
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
Structure:
Search PDB for entries with ligand similarity: