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Target
Acetylcholinesterase
Ligand
BDBM222310
Substrate
n/a
Meas. Tech.
Cholinesterase Inhibition Assay
IC50
79380±540 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:
BDBM222310
Synonyms:
2-Acetamido-3-(3-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide (2d)
Type:
Small organic molecule
Emp. Form.:
C18H16F4N2O2
Mol. Mass.:
368.3255
SMILES:
CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: