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Target
Acetylcholinesterase
Ligand
BDBM50467872
Substrate
n/a
Meas. Tech.
ChEMBL_1797233 (CHEMBL4269350)
IC50
9900±n/a nM
Citation
 Knutsson, S; Engdahl, C; Kumari, R; Forsgren, N; Lindgren, C; Kindahl, T; Kitur, S; Wachira, L; Kamau, L; Ekström, F; Linusson, A Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J Med Chem 61:10545-10557 (2018) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase | ace-1
Type:
PROTEIN
Mol. Mass.:
78192.84
Organism:
Aedes aegypti
Description:
ChEMBL_117852
Residue:
702
Sequence:
MEIRGLITRLLGPCHIRHLILCSLGIYSILVQSVHCRHHDIGSSTAHQLGSKYSQSSSLSSSSQSSSSLVEDPVLNKDSDAFFTPYIGHGDSVRIVDAELGTLEREHVHSTTTRRRGLTRRESSSDGTDNDPLLITTDKGKVRGLTLEAPSGKKVDAWLGIPYAQPPLGPLRFRHPRPVEKWTGVLNATTPPNSCVQIVDTVFGDFPGATMWNPNTPLSEDCLYINVVVPHPRPKNSAVMLWIFGGGFYSGTATLDVYDHRTLASEENVIVVSLQYRVASLGFLFLGTPEAPGNAGLFDQNLALRWVRDNIHKFGGDPSRVTLFGESAGAVSVSLHLLSALSRDLFQRAILQSGSPTAPWALVSREEATLRALRLAEAVNCPHDATKLTDTVECLRTKDPNVLVDNEWGTLGICEFPFVPVVDGAFLDETPQRSLASGRFKKTDILTGSNTEEGYYFIIYYLTELLRKEEGVTVSREEFLQAVRELNPYVNGAARQAIVFEYTDWTEPENPNSNRDALDKMVGDYHFTCNVNEFAQRYAEEGNNVYMYLYTHRSKGNPWPRWTGVMHGDEINYVFGEPLNSDLGYMEDEKDFSRKIMRYWSNFAKTGNPNPSPPNSDFPEWPKHTAHGRHYLELGLNTTYVGRGPRLRQCAFWKKYLPQLVAATSNLQATPAPSEPCGSSATPYRPLLFLIVSLVLVTCFKI
  
Inhibitor
Name:
BDBM50467872
Synonyms:
CHEMBL4277357
Type:
Small organic molecule
Emp. Form.:
C22H28N2O2
Mol. Mass.:
352.4699
SMILES:
O=C(COc1ccc(cc1)-c1ccccc1)NCCCN1CCCCC1
Structure:
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