Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50029912
Substrate/Competitorn/a
Meas. Tech.ChEMBL_27802
Ki 122±n/a nM
Citation Inoue, AKawai, TWakita, MIimura, YSugimoto, HKawakami, Y The simulated binding of (+/-)-2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]meth yl] -1H-inden-1-one hydrochloride (E2020) and related inhibitors to free and acylated acetylcholinesterases and corresponding structure-activity analyses. J Med Chem39:4460-70 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:n/a
Mol. Mass.:65900.74
Organism:Tetronarce californica (Pacific electric ray) (Torpedo californica)
Description:P04058
Residue:586
Sequence:
MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPP
VGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNI
WVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALH
GSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF
RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEW
NVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGF
SKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHN
VICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT
AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQ
MCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50029912
NameBDBM50029912
Synonyms:2-(1-Benzyl-piperidin-4-yl)-5,6-dimethoxy-indan-1-one; hydrochloride | CHEMBL169648 | CHEMBL538296
TypeSmall organic molecule
Emp. Form.C23H27NO3
Mol. Mass.365.4654
SMILESCOc1cc2CC(C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a