Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50146877
Substrate
n/a
Meas. Tech.
ChEMBL_28138 (CHEMBL644922)
IC50
>50000±n/a nM
Citation
 Meier, C; Ducho, C; Görbig, U; Esnouf, R; Balzarini, J Interaction of cycloSal-pronucleotides with cholinesterases from different origins. A structure-activity relationship. J Med Chem 47:2839-52 (2004) [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:
BDBM50146877
Synonyms:
1-[5-(6-sec-Butyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-2,5-dihydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione | CHEMBL419521
Type:
Small organic molecule
Emp. Form.:
C21H25N2O7P
Mol. Mass.:
448.4062
SMILES:
CCC(C)c1ccc2OP(=O)(OCC3OC(C=C3)n3cc(C)c(=O)[nH]c3=O)OCc2c1 |c:16|
Structure:
Search PDB for entries with ligand similarity: