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Target
Acetylcholinesterase
Ligand
BDBM50346976
Substrate
n/a
Meas. Tech.
ChEMBL_753299 (CHEMBL1799510)
IC50
6860±n/a nM
Citation
 Suresh Kumar, R; Ashraf Ali, M; Osman, H; Ismail, R; Choon, TS; Yoon, YK; Wei, AC; Pandian, S; Manogaran, E Synthesis and discovery of novel hexacyclic cage compounds as inhibitors of acetylcholinesterase. Bioorg Med Chem Lett 21:3997-4000 (2011) [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:
BDBM50346976
Synonyms:
CHEMBL1795890
Type:
Small organic molecule
Emp. Form.:
C32H28N2O3
Mol. Mass.:
488.5763
SMILES:
OC12N3CC4([C@H](C5CCCN5C14C(=O)c1ccccc21)c1ccccc1)C(=O)\C(C3)=C\c1ccccc1 |r|
Structure:
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