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Target
Acetylcholinesterase
Ligand
BDBM50124878
Substrate
n/a
Meas. Tech.
ChEMBL_1521648 (CHEMBL3626448)
IC50
1.5±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:
BDBM50124878
Synonyms:
CHEMBL3623552
Type:
Small organic molecule
Emp. Form.:
C10H11F3N2O
Mol. Mass.:
232.2023
SMILES:
FC(F)(F)C(=O)c1cnn(c1)C1CCCC1
Structure:
Search PDB for entries with ligand similarity: