Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM91580
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±0
IC50
4.0e+2± 7e+1 nM
Citation
 Omran, Z; Stiebing, S; Godard, AM; Sopkova-De Oliveira-Santos, J; Dallemagne, P Synthesis and biological evaluation of new donepezil-like Thiaindanones as AChE inhibitors. J Enzyme Inhib Med Chem 23:696-703 (2008) [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:
BDBM91580
Synonyms:
Thiaindanone, 2
Type:
Small organic molecule
Emp. Form.:
C20H20Br2FN3O2S
Mol. Mass.:
545.263
SMILES:
Fc1ccccc1CN1CCN(CC(=O)NC2CC(=O)c3c(Br)sc(Br)c23)CC1
Structure:
Search PDB for entries with ligand similarity: