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Target
Acetylcholinesterase
Ligand
BDBM50138279
Substrate
n/a
Meas. Tech.
ChEMBL_1549933 (CHEMBL3755080)
Ki
2.1±n/a nM
Citation
 Zha, X; Lamba, D; Zhang, L; Lou, Y; Xu, C; Kang, D; Chen, L; Xu, Y; Zhang, L; De Simone, A; Samez, S; Pesaresi, A; Stojan, J; Lopez, MG; Egea, J; Andrisano, V; Bartolini, M Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography. J Med Chem 59:114-31 (2016) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
AChE | 3.1.1.7 | ACES_TETCF | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:
n/a
Mol. Mass.:
65900.74
Organism:
Pacific electric ray
Description:
P04058
Residue:
586
Sequence:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
  
Inhibitor
Name:
BDBM50138279
Synonyms:
CHEMBL3752467
Type:
Small organic molecule
Emp. Form.:
C29H35N3O
Mol. Mass.:
441.28
SMILES:
c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5
Structure:
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