Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50252257
Substrate
n/a
Meas. Tech.
ChEMBL_1684530 (CHEMBL4035009)
IC50
190±n/a nM
Citation
 Knutsson, S; Kindahl, T; Engdahl, C; Nikjoo, D; Forsgren, N; Kitur, S; Ekström, F; Kamau, L; Linusson, A N-Aryl-N'-ethyleneaminothioureas effectively inhibit acetylcholinesterase 1 from disease-transmitting mosquitoes. Eur J Med Chem 134:415-427 (2017) [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:
BDBM50252257
Synonyms:
CHEMBL4092186
Type:
Small organic molecule
Emp. Form.:
C14H20ClN3O2S
Mol. Mass.:
329.846
SMILES:
COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: