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Target
Acetylcholinesterase
Ligand
BDBM10620
Substrate
n/a
Meas. Tech.
ChEMBL_1558466 (CHEMBL3773501)
KON
0.033333 M-1s-1
Citation
 Pejchal, V; ?tepánková, ?; Pejchalová, M; Královec, K; Havelek, R; Ru?icková, Z; Ajani, H; Lo, R; Lep?ík, M Synthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]-3-alkyl carbamates, novel acetylcholinesterase and butyrylcholinesterase pseudo-irreversible inhibitors. Bioorg Med Chem 24:1560-72 (2016) [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:
BDBM10620
Synonyms:
(S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate | 3-((1S)-1-(Dimethylamino)ethyl)phenyl N-ethyl N-methyl carbamate | 3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate | 3-[(1S)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate | CHEMBL636 | ENA-713 | Ethyl-methyl-carbamic acid 3-((R)-1-dimethylamino-ethyl)-phenyl ester | Ethyl-methyl-carbamic acid 3-((S)-1-dimethylamino-ethyl)-phenyl ester | Ethyl-methyl-carbamic acid 3-(1-dimethylamino-ethyl)-phenyl ester | Exelon | Rivastigmine | Rivastigmine (1) | SDZ-212-713 | SDZ-ENA-713
Type:
Small organic molecule
Emp. Form.:
C14H22N2O2
Mol. Mass.:
250.3367
SMILES:
[H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
Structure:
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