Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50530475
Substrate
n/a
Meas. Tech.
ChEMBL_1912674 (CHEMBL4415257)
IC50
4600±n/a nM
Citation
 Dai, W; Sandoval, IT; Cai, S; Smith, KA; Delacruz, RGC; Boyd, KA; Mills, JJ; Jones, DA; Cichewicz, RH Cholinesterase Inhibitory Arisugacins L-Q from a  J Nat Prod 82:2627-2637 (2019) [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:
BDBM50530475
Synonyms:
CHEMBL4575080
Type:
Small organic molecule
Emp. Form.:
C27H32O8
Mol. Mass.:
484.5382
SMILES:
COc1ccc(cc1)-c1cc2O[C@]3(C)CC[C@]4(O)C(C)(C)C(=O)C[C@@H](O)[C@]4(C)[C@@]3(O)Cc2c(=O)o1 |r|
Structure:
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