Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50394655
Substrate
n/a
Meas. Tech.
ChEMBL_857652 (CHEMBL2168279)
IC50
20000±n/a nM
Citation
 Trinh Thi Thanh, V; Doan Thi Mai, H; Pham, VC; Litaudon, M; Dumontet, V; Guéritte, F; Nguyen, VH; Chau, VM Acetylcholinesterase inhibitors from the leaves of Macaranga kurzii. J Nat Prod 75:2012-2015 (2012) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ACES_ELEEL | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electric eel
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50394655
Synonyms:
CHEMBL2165237
Type:
Small organic molecule
Emp. Form.:
C20H16O5
Mol. Mass.:
n/a
SMILES:
CC1(C)Oc2cc3oc(-c4ccccc4)c(O)c(=O)c3c(O)c2C=C1 |c:26|
Structure:
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