Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50347131
Substrate
n/a
Meas. Tech.
ChEMBL_753198 (CHEMBL1799291)
IC50
358230±n/a nM
Citation
 Akhtar, MN; Lam, KW; Abas, F; Maulidiani, na; Ahmad, S; Shah, SA; Atta-Ur-Rahman, A; Choudhary, MI; Lajis, NH New class of acetylcholinesterase inhibitors from the stem bark of Knema laurina and their structural insights. Bioorg Med Chem Lett 21:4097-103 (2011) [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:
BDBM50347131
Synonyms:
CHEMBL1797238
Type:
Small organic molecule
Emp. Form.:
C24H38O3
Mol. Mass.:
374.5567
SMILES:
CCCC\C=C/CCCCCCCCCc1cccc(OC)c1C(=O)OC
Structure:
Search PDB for entries with ligand similarity: