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TargetCarboxylic ester hydrolase
LigandBDBM50261345
Substrate/Competitorn/a
Meas. Tech.ChEMBL_531228 (CHEMBL983416)
IC50 23±n/a nM
Citation Decker, MKraus, BHeilmann, J Design, synthesis and pharmacological evaluation of hybrid molecules out of quinazolinimines and lipoic acid lead to highly potent and selective butyrylcholinesterase inhibitors with antioxidant properties. Bioorg Med Chem16:4252-61 (2008) [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:
BDBM50261345
n/a
NameBDBM50261345
Synonyms:5-(1,2-Dithiolan-3-yl)-N-[8-(6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-ylideneamino)-octyl]pentanamide | CHEMBL466339
TypeSmall organic molecule
Emp. Form.C30H46N4OS2
Mol. Mass.542.842
SMILESO=C(CCCCC1CCSS1)NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: