Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50155917
Substrate
n/a
Meas. Tech.
ChEMBL_1564757 (CHEMBL3784264)
Ki
>4000±n/a nM
Citation
 Schwarz, S; Loesche, A; Lucas, SD; Sommerwerk, S; Serbian, I; Siewert, B; Pianowski, E; Csuk, R Converting maslinic acid into an effective inhibitor of acylcholinesterases. Eur J Med Chem 103:438-45 (2015) [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:
BDBM50155917
Synonyms:
CHEMBL3780798
Type:
Small organic molecule
Emp. Form.:
C37H53NO6
Mol. Mass.:
607.8198
SMILES:
[H]C12CC(C)(C)CCC1(CCC1(C)C2=CCC2([H])C3(C)CC(O)C(O)C(C)(C)C3([H])CCC12C)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:15|
Structure:
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