Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50155917
Substrate
n/a
Meas. Tech.
ChEMBL_1564755 (CHEMBL3784262)
IC50
7410±n/a nM
Citation
 Schwarz, S; Loesche, A; Lucas, SD; Sommerwerk, S; Serbian, I; Siewert, B; Pianowski, E; Csuk, R Converting maslinic acid into an effective inhibitor of acylcholinesterases. Eur J Med Chem 103:438-45 (2015) [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:
BDBM50155917
Synonyms:
CHEMBL3780798
Type:
Small organic molecule
Emp. Form.:
C37H53NO6
Mol. Mass.:
607.8198
SMILES:
[H]C12CC(C)(C)CCC1(CCC1(C)C2=CCC2([H])C3(C)CC(O)C(O)C(C)(C)C3([H])CCC12C)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:15|
Structure:
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