Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50005511
Substrate
n/a
Meas. Tech.
ChEBML_28737
IC50
44000±n/a nM
Citation
 Sowell, JW; Tang, Y; Valli, MJ; Chapman, JM; Usher, LA; Vaughan, CM; Kosh, JW Synthesis and cholinergic properties of bis[[(dimethylamino)methyl]furanyl] analogues of ranitidine. J Med Chem 35:1102-8 (1992) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50005511
Synonyms:
CHEMBL13522 | [5-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanylmethyl)-furan-2-ylmethyl]-dimethyl-amine
Type:
Small organic molecule
Emp. Form.:
C16H24N2O2S
Mol. Mass.:
308.439
SMILES:
CN(C)Cc1ccc(CSCc2ccc(CN(C)C)o2)o1
Structure:
Search PDB for entries with ligand similarity: