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TargetAcetylcholinesterase
LigandBDBM50029932
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1627946
IC50 652±n/a nM
Citation Wang, ZMCai, PLiu, QHXu, DQYang, XLWu, JJKong, LYWang, XB Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem123:282-297 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Cholinesterases; ACHE & BCHE
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:Enzyme
Mol. Mass.:67792.70
Organism:Homo sapiens (Human)
Description:n/a
Residue:614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50029932
NameBDBM50029932
Synonyms:5,6-Dimethoxy-2-[1-(3-nitro-benzyl)-piperidin-4-ylmethyl]-indan-1-one; hydrochloride | CHEMBL435071 | CHEMBL557839
TypeSmall organic molecule
Emp. Form.C24H28N2O5
Mol. Mass.424.4895
SMILESCOc1cc2CC(CC3CCN(Cc4cccc(c4)[N+]([O-])=O)CC3)C(=O)c2cc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a