Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCholinesterase
LigandBDBM199190
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1668100 (CHEMBL4017988)
IC50 1400±n/a nM
Citation McEneny-King, AOsman, WEdginton, ANRao, PPN Cytochrome P450 binding studies of novel tacrine derivatives: Predicting the risk of hepatotoxicity. Bioorg Med Chem Lett27:2443-2449 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:Homotetramer
Mol. Mass.:68422.27
Organism:Homo sapiens (Human)
Description:P06276
Residue:602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM199190
n/a
NameBDBM199190
Synonyms:6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (9e)
TypeSmall organic molecule
Emp. Form.C22H23ClN2O2
Mol. Mass.382.883
SMILESCOc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: