Target
Acetylcholinesterase
Ligand
BDBM222306
Substrate
n/a
Meas. Tech.
Cholinesterase Inhibition Assay
IC50
64440±420 nM
Citation
 Krátký, M?tepánková, Ĺ Vorcáková, KNavrátilová, LTrejtnar, FStolaríková, JVin?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:
BDBM222306
Synonyms:
2-Acetamido-3-(2-fluorophenyl)-N-(4-nitrophenyl)propanamide (1c)
Type:
Small organic molecule
Emp. Form.:
C17H16FN3O4
Mol. Mass.:
345.325
SMILES:
CC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: