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TargetCholinesterase
LigandBDBM50317187
Substrate/Competitorn/a
Meas. Tech.ChEMBL_631312 (CHEMBL1105649)
IC50 319±n/a nM
Citation Rook, YSchmidtke, KUGaube, FSchepmann, DWünsch, BHeilmann, JLehmann, JWinckler, T Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents. J Med Chem53:3611-7 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | 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:
BDBM50317187
n/a
NameBDBM50317187
Synonyms:6-Methoxy-2-[5-(6-methoxy-beta-carboline-2-ium-2-yl)pentyl]-beta-carboline-2-ium dibromide | CHEMBL1094554
TypeSmall organic molecule
Emp. Form.C29H30N4O2
Mol. Mass.466.573
SMILESCOc1ccc2[nH]c3c[n+](CCCCC[n+]4ccc5c(c4)[nH]c4ccc(OC)cc54)ccc3c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: