Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50335594
Substrate
n/a
Meas. Tech.
ChEMBL_714912 (CHEMBL1663858)
IC50
376000±n/a nM
Citation
 Youkwan, J; Sutthivaiyakit, S; Sutthivaiyakit, P Citrusosides A-D and furanocoumarins with cholinesterase inhibitory activity from the fruit peels of Citrus hystrix. J Nat Prod 73:1879-83 (2010) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50335594
Synonyms:
CHEMBL1651084 | citrusoside A
Type:
Small organic molecule
Emp. Form.:
C21H36O7
Mol. Mass.:
400.5063
SMILES:
[#6]-[#6](-[#6])-[#8]-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]-[#6](=O)\[#6]=[#6]\[#6]-[#6@H](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
Structure:
Search PDB for entries with ligand similarity: