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Target
Acetylcholinesterase
Ligand
BDBM50456479
Substrate
n/a
Meas. Tech.
ChEMBL_1757257 (CHEMBL4192265)
IC50
209660±n/a nM
Citation
 Nisa, MU; Munawar, MA; Iqbal, A; Ahmed, A; Ashraf, M; Gardener, QA; Khan, MA Synthesis of novel 5-(aroylhydrazinocarbonyl)escitalopram as cholinesterase inhibitors. Eur J Med Chem 138:396-406 (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:
BDBM50456479
Synonyms:
CHEMBL4203093
Type:
Small organic molecule
Emp. Form.:
C27H27FIN3O3
Mol. Mass.:
587.4245
SMILES:
CN(C)CCCC1(OCc2cc(ccc12)C(=O)NNC(=O)c1ccc(I)cc1)c1ccc(F)cc1
Structure:
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