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Target
Acetylcholinesterase
Ligand
BDBM50278990
Substrate
n/a
Meas. Tech.
ChEMBL_1720303 (CHEMBL4135303)
Ki
39±n/a nM
Citation
 Pandolfi, F; De Vita, D; Bortolami, M; Coluccia, A; Di Santo, R; Costi, R; Andrisano, V; Alabiso, F; Bergamini, C; Fato, R; Bartolini, M; Scipione, L New pyridine derivatives as inhibitors of acetylcholinesterase and amyloid aggregation. Eur J Med Chem 141:197-210 (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:
BDBM50278990
Synonyms:
CHEMBL4164524
Type:
Small organic molecule
Emp. Form.:
C18H21Cl2N3O2
Mol. Mass.:
382.284
SMILES:
Clc1cc(NC(=O)OCCCCCNCc2ccccc2)cc(Cl)n1
Structure:
Search PDB for entries with ligand similarity: