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TargetAcetylcholinesterase
LigandBDBM50467873
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1797233 (CHEMBL4269350)
IC50 250±n/a nM
Citation Knutsson, SEngdahl, CKumari, RForsgren, NLindgren, CKindahl, TKitur, SWachira, LKamau, LEkström, FLinusson, A Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J Med Chem61:10545-10557 (2018) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:Acetylcholinesterase | ace-1
Type:PROTEIN
Mol. Mass.:78192.84
Organism:Aedes aegypti
Description:ChEMBL_117852
Residue:702
Sequence:
MEIRGLITRLLGPCHIRHLILCSLGIYSILVQSVHCRHHDIGSSTAHQLGSKYSQSSSLS
SSSQSSSSLVEDPVLNKDSDAFFTPYIGHGDSVRIVDAELGTLEREHVHSTTTRRRGLTR
RESSSDGTDNDPLLITTDKGKVRGLTLEAPSGKKVDAWLGIPYAQPPLGPLRFRHPRPVE
KWTGVLNATTPPNSCVQIVDTVFGDFPGATMWNPNTPLSEDCLYINVVVPHPRPKNSAVM
LWIFGGGFYSGTATLDVYDHRTLASEENVIVVSLQYRVASLGFLFLGTPEAPGNAGLFDQ
NLALRWVRDNIHKFGGDPSRVTLFGESAGAVSVSLHLLSALSRDLFQRAILQSGSPTAPW
ALVSREEATLRALRLAEAVNCPHDATKLTDTVECLRTKDPNVLVDNEWGTLGICEFPFVP
VVDGAFLDETPQRSLASGRFKKTDILTGSNTEEGYYFIIYYLTELLRKEEGVTVSREEFL
QAVRELNPYVNGAARQAIVFEYTDWTEPENPNSNRDALDKMVGDYHFTCNVNEFAQRYAE
EGNNVYMYLYTHRSKGNPWPRWTGVMHGDEINYVFGEPLNSDLGYMEDEKDFSRKIMRYW
SNFAKTGNPNPSPPNSDFPEWPKHTAHGRHYLELGLNTTYVGRGPRLRQCAFWKKYLPQL
VAATSNLQATPAPSEPCGSSATPYRPLLFLIVSLVLVTCFKI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50467873
n/a
NameBDBM50467873
Synonyms:CHEMBL4285972
TypeSmall organic molecule
Emp. Form.C24H31N3O2
Mol. Mass.393.5218
SMILESCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: