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Target
Cholinesterase
Ligand
BDBM50282228
Substrate
n/a
Meas. Tech.
ChEMBL_1724024 (CHEMBL4139302)
Ki
5000±n/a nM
Citation
 Boti?, T; Defant, A; Zanini, P; ?u?ek, MC; Frange?, R; Janussen, D; Kersken, D; Knez, ?; Mancini, I; Sep?i?, K Discorhabdin alkaloids from Antarctic Latrunculia spp. sponges as a new class of cholinesterase inhibitors. Eur J Med Chem 136:294-304 (2017) [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:
BDBM50282228
Synonyms:
CHEMBL4168617
Type:
Small organic molecule
Emp. Form.:
C20H15BrF3N3O4
Mol. Mass.:
498.25
SMILES:
OC(=O)C(F)(F)F.BrC1=C[C@@]2(CCC1=O)C=CNC1=C2C2=NCCc3c[nH]c(c23)C1=O |r,c:15,18,t:7,21|
Structure:
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