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Target
Acetylcholinesterase
Ligand
BDBM50550233
Substrate
n/a
Meas. Tech.
ChEMBL_2027086 (CHEMBL4681244)
IC50
30±n/a nM
Citation
 Benchekroun, M; Romero, A; Egea, J; León, R; Michalska, P; Buendía, I; Jimeno, ML; Jun, D; Janockova, J; Sepsova, V; Soukup, O; Bautista-Aguilera, OM; Refouvelet, B; Ouari, O; Marco-Contelles, J; Ismaili, L The Antioxidant Additive Approach for Alzheimer's Disease Therapy: New Ferulic (Lipoic) Acid Plus Melatonin Modified Tacrines as Cholinesterases Inhibitors, Direct Antioxidants, and Nuclear Factor (Erythroid-Derived 2)-Like 2 Activators. J Med Chem 59:9967-9973 (2016) [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:
BDBM50550233
Synonyms:
CHEMBL4762095
Type:
Small organic molecule
Emp. Form.:
C45H55N5O6
Mol. Mass.:
761.9481
SMILES:
COc1ccc2[nH]cc(CCNC(=O)CN(CCCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)C(=O)\C=C\c3ccc(O)c(OC)c3)c2c1
Structure:
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