Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM240835
Substrate
n/a
Meas. Tech.
AChE Inhibition Assay
pH
8±0
Temperature
298.15±0 K
IC50
6363± 3.1e+2 nM
Citation
 Kaboudin, B; Emadi, S; Faghihi, MR; Fallahi, M; Sheikh-Hasani, V Synthesis of a-oxycarbanilinophosphonates and their anticholinesterase activities: the most potent derivative is bound to the peripheral site of acetylcholinesterase. J Enzyme Inhib Med Chem 28:576-82 (2013) [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:
BDBM240835
Synonyms:
Diethyl[(3-chloro-4-methylanilinocarbonyl)oxy](2,4-dichlorophenyl)methyl phosphonate (4h)
Type:
Small organic molecule
Emp. Form.:
C19H21Cl3NO5P
Mol. Mass.:
480.707
SMILES:
CCOP(=O)(OCC)C(OC(=O)Nc1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl
Structure:
Search PDB for entries with ligand similarity: