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TargetCarboxylic ester hydrolase
LigandBDBM50273222
Substrate/Competitorn/a
Meas. Tech.ChEMBL_509819 (CHEMBL1000500)
IC50 4509±n/a nM
Citation Shen, YSheng, RZhang, JHe, QYang, BHu, Y 2-Phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors: a study on the importance of modifications at the side chain on the activity. Bioorg Med Chem16:7646-53 (2008) [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:
BDBM50273222
n/a
NameBDBM50273222
Synonyms:2-(4-(3-(Ethyl(methyl)amino)propanoyl)phenoxy)-5,6-dimethoxy-indan-1-one | CHEMBL456968
TypeSmall organic molecule
Emp. Form.C23H27NO5
Mol. Mass.397.4642
SMILESCCN(C)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
Structure
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