Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50169854
Substrate
n/a
Meas. Tech.
ChEMBL_931327 (CHEMBL3069984)
Ki
228±n/a nM
Citation
  TBA Med Chem Res 22:2328-2345 (2013)    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:
BDBM50169854
Synonyms:
5,6-Dimethoxy-2-{4-[1-(4-methyl-piperazin-1-yl)-ethyl]-phenoxy}-indan-1-one | CHEMBL361540
Type:
Small organic molecule
Emp. Form.:
C24H30N2O4
Mol. Mass.:
410.506
SMILES:
COc1cc2CC(Oc3ccc(cc3)C(C)N3CCN(C)CC3)C(=O)c2cc1OC
Structure:
Search PDB for entries with ligand similarity: