Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM222304
Substrate
n/a
Meas. Tech.
Cholinesterase Inhibition Assay
IC50
68700±1080 nM
Citation
 Krátký, M; ?tepánková, Ĺ ; Vorcáková, K; Navrátilová, L; Trejtnar, F; Stolaríková, J; Vin?ová, J Synthesis of readily available fluorophenylalanine derivatives and investigation of their biological activity. Bioorg Chem 71:244-256 (2017) [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:
BDBM222304
Synonyms:
2-Acetamido-3-(3-fluorophenyl)-N-(4-methylphenyl)propanamide (2b)
Type:
Small organic molecule
Emp. Form.:
C18H19FN2O2
Mol. Mass.:
314.3541
SMILES:
CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(C)cc1
Structure:
Search PDB for entries with ligand similarity: