Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM222341
Substrate
n/a
Meas. Tech.
AChE/BuChE Inhibition Assay
IC50
4120±260 nM
Citation
 Yang, X; Qiang, X; Li, Y; Luo, L; Xu, R; Zheng, Y; Cao, Z; Tan, Z; Deng, Y Pyridoxine-resveratrol hybrids Mannich base derivatives as novel dual inhibitors of AChE and MAO-B with antioxidant and metal-chelating properties for the treatment of Alzheimer's disease. Bioorg Chem 71:305-314 (2017) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electrophorus electricus (Electric eel)
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM222341
Synonyms:
(E)-2-(piperidin-1-ylmethyl)-5-(2-(2,2,8-trimethyl-4H-[1,3]-dioxino[4,5-c]pyridin-5-yl)vinyl)phenol (8d)
Type:
Small organic molecule
Emp. Form.:
C24H30N2O3
Mol. Mass.:
394.5066
SMILES:
Cc1ncc(\C=C\c2ccc(CN3CCCCC3)c(O)c2)c2COC(C)(C)Oc12
Structure:
Search PDB for entries with ligand similarity: