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Target
Acetylcholinesterase
Ligand
BDBM50458333
Substrate
n/a
Meas. Tech.
ChEMBL_1763085 (CHEMBL4198332)
IC50
29±n/a nM
Citation
 Kumar, D; Gupta, SK; Ganeshpurkar, A; Gutti, G; Krishnamurthy, S; Modi, G; Singh, SK Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem 150:87-101 (2018) [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:
BDBM50458333
Synonyms:
CHEMBL4210820
Type:
Small organic molecule
Emp. Form.:
C28H20Cl2N2O6S2
Mol. Mass.:
615.504
SMILES:
Clc1ccc(cc1)S(=O)(=O)N1C(C(=O)N(C(C1=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
Structure:
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