Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50182491
Substrate
n/a
Meas. Tech.
ChEMBL_1585952 (CHEMBL3822269)
Ki
11460±n/a nM
Citation
 Abdul Wahab, SM; Sivasothy, Y; Liew, SY; Litaudon, M; Mohamad, J; Awang, K Natural cholinesterase inhibitors from Myristica cinnamomea King. Bioorg Med Chem Lett 26:3785-92 (2016) [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:
BDBM50182491
Synonyms:
CHEBI:69015 | Malabaricone C
Type:
Small organic molecule
Emp. Form.:
C21H26O5
Mol. Mass.:
358.4281
SMILES:
Oc1ccc(CCCCCCCCC(=O)c2c(O)cccc2O)cc1O
Structure:
Search PDB for entries with ligand similarity: