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Target
Acetylcholinesterase
Ligand
BDBM50443045
Substrate
n/a
Meas. Tech.
ChEMBL_1275665 (CHEMBL3090836)
IC50
7000±n/a nM
Citation
 Andersson, CD; Forsgren, N; Akfur, C; Allgardsson, A; Berg, L; Engdahl, C; Qian, W; Ekström, F; Linusson, A Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors. J Med Chem 56:7615-24 (2013) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_MOUSE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor | Ache
Type:
Enzyme
Mol. Mass.:
68165.65
Organism:
Mus musculus (mouse)
Description:
n/a
Residue:
614
Sequence:
MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELIACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL
  
Inhibitor
Name:
BDBM50443045
Synonyms:
CHEMBL3087811
Type:
Small organic molecule
Emp. Form.:
C13H20Cl2N2O2S
Mol. Mass.:
339.281
SMILES:
CCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: