Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50240485
Substrate
n/a
Meas. Tech.
ChEMBL_1791804 (CHEMBL4263723)
Ki
4400±n/a nM
Citation
 Loesche, A; Wiemann, J; Al Halabi, Z; Karasch, J; Sippl, W; Csuk, R Unexpected AChE inhibitory activity of (2E)?,?-unsaturated fatty acids. Bioorg Med Chem Lett 28:3315-3319 (2018) [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:
BDBM50240485
Synonyms:
18:0 | C18:0 | CH3-[CH2]16-COOH | CHEMBL46403 | Octadecanoic acid | Octadecansaeure | Oktadekansaeure | Stearinsaeure | acide octadecanoique | acide stearique | n-octadecanoic acid | octadecoic acid | stearic acid
Type:
Small organic molecule
Emp. Form.:
C18H36O2
Mol. Mass.:
284.4772
SMILES:
CCCCCCCCCCCCCCCCCC(O)=O
Structure:
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