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Target
Acetylcholinesterase
Ligand
BDBM50286926
Substrate
n/a
Meas. Tech.
ChEMBL_1521650 (CHEMBL3626450)
IC50
324±n/a nM
Citation
 Camerino, E; Wong, DM; Tong, F; Körber, F; Gross, AD; Islam, R; Viayna, E; Mutunga, JM; Li, J; Totrov, MM; Bloomquist, JR; Carlier, PR Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase. Bioorg Med Chem Lett 25:4405-11 (2015) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACE1 | ACE1 | ACES_ANOGA | ACHE1 | AChE | Ace | Acetylcholinesterase
Type:
PROTEIN
Mol. Mass.:
80902.47
Organism:
Anopheles gambiae
Description:
ChEMBL_104567
Residue:
737
Sequence:
MEIRGLLMGRLRLGRRMVPLGLLGVTALLLILPPFALVQGRHHELNNGAAIGSHQLSAAAGVGLASQSAQSGSLASGVMSSVPAAGASSSSSSSLLSSSAEDDVARITLSKDADAFFTPYIGHGESVRIIDAELGTLEHVHSGATPRRRGLTRRESNSDANDNDPLVVNTDKGRIRGITVDAPSGKKVDVWLGIPYAQPPVGPLRFRHPRPAEKWTGVLNTTTPPNSCVQIVDTVFGDFPGATMWNPNTPLSEDCLYINVVAPRPRPKNAAVMLWIFGGGFYSGTATLDVYDHRALASEENVIVVSLQYRVASLGFLFLGTPEAPGNAGLFDQNLALRWVRDNIHRFGGDPSRVTLFGESAGAVSVSLHLLSALSRDLFQRAILQSGSPTAPWALVSREEATLRALRLAEAVGCPHEPSKLSDAVECLRGKDPHVLVNNEWGTLGICEFPFVPVVDGAFLDETPQRSLASGRFKKTEILTGSNTEEGYYFIIYYLTELLRKEEGVTVTREEFLQAVRELNPYVNGAARQAIVFEYTDWTEPDNPNSNRDALDKMVGDYHFTCNVNEFAQRYAEEGNNVYMYLYTHRSKGNPWPRWTGVMHGDEINYVFGEPLNPTLGYTEDEKDFSRKIMRYWSNFAKTGNPNPNTASSEFPEWPKHTAHGRHYLELGLNTSFVGRGPRLRQCAFWKKYLPQLVAATSNLPGPAPPSEPCESSAFFYRPDLIVLLVSLLTATVRFIQ
  
Inhibitor
Name:
BDBM50286926
Synonyms:
2,2-Dichloroethenyl dimethyl phosphate | CHEMBL167911 | DDVP | Dimethyl 2,2-dichlorovinyl phosphate | Dimethyl-2,2-dichlorovinyl phosphate | Phosphoric acid, 2,2-dichloroethenyl dimethyl ester | Phosphoric acid, 2,2-dichlorovinyl dimethyl ester
Type:
Small organic molecule
Emp. Form.:
C4H7Cl2O4P
Mol. Mass.:
220.976
SMILES:
[#6]-[#8]P(=O)([#8]-[#6])[#8]\[#6]=[#6](/Cl)Cl
Structure:
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