Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50252745
Substrate
n/a
Meas. Tech.
ChEMBL_534770 (CHEMBL986294)
IC50
60400±n/a nM
Citation
 Carolan, CG; Dillon, GP; Gaynor, JM; Reidy, S; Ryder, SA; Khan, D; Marquez, JF; Gilmer, JF Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors. J Med Chem 51:6400-9 (2008) [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:
BDBM50252745
Synonyms:
2-(Benzylaminocarbonyloxy-) 5-(coumarincarbonyloxy-)-1,4:3,6-dianhydro-D-glucitol | CHEMBL521810
Type:
Small organic molecule
Emp. Form.:
C23H23NO7
Mol. Mass.:
425.4312
SMILES:
Oc1ccc(C=CC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)OC(=O)NCc2ccccc2)cc1 |r,w:6.6|
Structure:
Search PDB for entries with ligand similarity: