Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50595010
Substrate
n/a
Meas. Tech.
ChEMBL_2215102 (CHEMBL5128234)
Ki
78±n/a nM
Citation
 Fantacuzzi, M; Amoroso, R; Carradori, S; De Filippis, B Resveratrol-based compounds and neurodegeneration: Recent insight in multitarget therapy. Eur J Med Chem 233:0 (2022) [PubMed] 
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:
BDBM50595010
Synonyms:
CHEMBL5196990
Type:
Small organic molecule
Emp. Form.:
C13H13BrN2O3S
Mol. Mass.:
357.223
SMILES:
NS(=O)(=O)c1ccc(NCc2cccc(Br)c2O)cc1
Structure:
Search PDB for entries with ligand similarity: