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Target
Acetylcholinesterase
Ligand
BDBM50579318
Substrate
n/a
Meas. Tech.
ChEMBL_2134902 (CHEMBL4844512)
IC50
8.4±n/a nM
Citation
 Wichur, T; Pasieka, A; Gody?, J; Panek, D; Góral, I; Latacz, G; Honkisz-Orzechowska, E; Bucki, A; Siwek, A; G?uch-Lutwin, M; Knez, D; Brazzolotto, X; Gobec, S; Ko?aczkowski, M; Sabate, R; Malawska, B; Wi?ckowska, A Discovery of 1-(phenylsulfonyl)-1H-indole-based multifunctional ligands targeting cholinesterases and 5-HT Eur J Med Chem 225:0 (2021) [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:
BDBM50579318
Synonyms:
CHEMBL4850546
Type:
Small organic molecule
Emp. Form.:
C31H32N4O3S
Mol. Mass.:
540.676
SMILES:
O=S(=O)(c1ccccc1)n1ccc2c(OCCNCCNc3c4CCCCc4nc4ccccc34)cccc12
Structure:
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