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TargetCarboxylic ester hydrolase
LigandBDBM173567
Substrate/Competitorn/a
Meas. Tech.AChE and BChE Inhibitory Activities
IC50 8.4e+2± 2e+1 nM
Citation Saeed, AZaib, SAshraf, SIftikhar, JMuddassar, MZhang, KYIqbal, J Synthesis, cholinesterase inhibition and molecular modelling studies of coumarin linked thiourea derivatives. Bioorg Chem63:58-63 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carboxylic ester hydrolase
Name:Carboxylic ester hydrolase
Synonyms:BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:Protein
Mol. Mass.:68842.83
Organism:Equus caballus (Horse)
Description:Q9N1N9
Residue:602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDC
LYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALG
FLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPR
SQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEI
LLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDV
VGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLER
RVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYT
KLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCS
DF
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  Blast E-value cutoff:
BDBM173567
n/a
NameBDBM173567
Synonyms:1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-chloro-4-fluorophenyl)thiourea (2f)
TypeSmall organic molecule
Emp. Form.C17H10ClFN2O3S
Mol. Mass.376.789
SMILESFc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1Cl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: