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TargetAcetylcholinesterase
LigandBDBM50281126
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1521648
IC50 18±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]
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACE1 | 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:
BDBM50281126
n/a
NameBDBM50281126
Synonyms:1-(3-tert-Butyl-phenyl)-2,2,2-trifluoro-ethanone | CHEMBL89354
TypeSmall organic molecule
Emp. Form.C12H13F3O
Mol. Mass.230.2262
SMILESCC(C)(C)c1cccc(c1)C(=O)C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: