Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarboxylic ester hydrolase
LigandBDBM50169867
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305980 (CHEMBL832145)
IC50 207000±n/a nM
Citation Sheng, RLin, XLi, JJiang, YShang, ZHu, Y Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors. Bioorg Med Chem Lett15:3834-7 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carboxylic ester hydrolase
Name:Carboxylic ester hydrolase
Synonyms:Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | BuChE | Butyrylcholinesterase (BuChE) | butyrylcholinesterase precursor
Type:Enzyme
Mol. Mass.:67776.22
Organism:Rattus norvegicus (rat)
Description:n/a
Residue:597
Sequence:
MVTEIHFLLWILLLCMLFGKSHTEEDVIITTKTGRVRGLSMPILGGTVTAFLGIPYAQPP
LGSLRFKKPQPLNKWPDVYNATKYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNV
WIPVPKPKNATVMVWVYGGGFQTGTSSLPVYDGKFLTRVERVIVVSMNYRVGALGFLAFP
GNSEAPGNMGLFDQQLALQWIQRNIAAFGGNPKSVTLFGESAGAASVSLHLLCPQSYPLF
TRAILESGSSNAPWAVKHPEEARNRTLTLAKFIGCSKENEKEIITCLRSKDPQEILLNEK
LVLPSDSIRSINFGPTVDGDFLTDMPHTLLQLGKVKTAQILVGVNKDEGTAFLVYGAPGF
SKDNDSLITRREFQEGLNMYFPGVSSLGKEAILFYYVDWLGDQTPEVYREAFDDIIGDYN
IICPALEFTKKFAELEINAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRVNYT
RAEEIFSRSIMKTWANFAKYGHPNGTQGNSTVWPVFTSTEQKYLTLNTEKSKINSKLRAP
QCQFWRLFFPKVLEITGDIDEREQEWKAGFHRWSNYMMDWKNQFNDYTSKKETCTDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50169867
n/a
NameBDBM50169867
Synonyms:2-(3-Dimethylaminomethyl-phenoxy)-5,6-dimethoxy-indan-1-one | CHEMBL181310
TypeSmall organic molecule
Emp. Form.C20H23NO4
Mol. Mass.341.4009
SMILESCOc1cc2CC(Oc3cccc(CN(C)C)c3)C(=O)c2cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: