Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50124890
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1521648 (CHEMBL3626448)
IC50>10000±n/a nM
Citation Camerino, EWong, DMTong, FKörber, FGross, ADIslam, RViayna, EMutunga, JMLi, JTotrov, MMBloomquist, JRCarlier, PR Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase. Bioorg Med Chem Lett25:4405-11 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
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:
MEIRGLLMGRLRLGRRMVPLGLLGVTALLLILPPFALVQGRHHELNNGAAIGSHQLSAAA
GVGLASQSAQSGSLASGVMSSVPAAGASSSSSSSLLSSSAEDDVARITLSKDADAFFTPY
IGHGESVRIIDAELGTLEHVHSGATPRRRGLTRRESNSDANDNDPLVVNTDKGRIRGITV
DAPSGKKVDVWLGIPYAQPPVGPLRFRHPRPAEKWTGVLNTTTPPNSCVQIVDTVFGDFP
GATMWNPNTPLSEDCLYINVVAPRPRPKNAAVMLWIFGGGFYSGTATLDVYDHRALASEE
NVIVVSLQYRVASLGFLFLGTPEAPGNAGLFDQNLALRWVRDNIHRFGGDPSRVTLFGES
AGAVSVSLHLLSALSRDLFQRAILQSGSPTAPWALVSREEATLRALRLAEAVGCPHEPSK
LSDAVECLRGKDPHVLVNNEWGTLGICEFPFVPVVDGAFLDETPQRSLASGRFKKTEILT
GSNTEEGYYFIIYYLTELLRKEEGVTVTREEFLQAVRELNPYVNGAARQAIVFEYTDWTE
PDNPNSNRDALDKMVGDYHFTCNVNEFAQRYAEEGNNVYMYLYTHRSKGNPWPRWTGVMH
GDEINYVFGEPLNPTLGYTEDEKDFSRKIMRYWSNFAKTGNPNPNTASSEFPEWPKHTAH
GRHYLELGLNTSFVGRGPRLRQCAFWKKYLPQLVAATSNLPGPAPPSEPCESSAFFYRPD
LIVLLVSLLTATVRFIQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50124890
n/a
NameBDBM50124890
Synonyms:CHEMBL3623567
TypeSmall organic molecule
Emp. Form.C9H13FN2O
Mol. Mass.184.2107
SMILESCC(C)Cn1cc(cn1)C(=O)CF
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: