Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetButyrylcholinesterase (BuChE)
LigandBDBM50317179
Substrate/Competitorn/a
Meas. Tech.ChEMBL_631312
IC50 0.507000±n/a nM
Citation Rook YSchmidtke KUGaube FSchepmann DWünsch BHeilmann JLehmann JWinckler T Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents. J Med Chem 53:3611-7 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Butyrylcholinesterase (BuChE)
Name:Cholinesterase
Synonyms:Cholinesterase
Type:Enzyme
Mol. Mass.:65643.35
Organism:Equus caballus (Horse)
Description:P81908
Residue:574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50317179
n/a
NameBDBM50317179
Synonyms:2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide | CHEMBL1087458
TypeSmall organic molecule
Emp. Form.C33H38N4
Mol. Mass.490.6805
SMILESC[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: