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TargetCholinesterases
LigandBDBM50271468
Substrate/Competitorn/a
Meas. Tech.ChEMBL_552458
Ki 0.435±n/a nM
Citation Butini SCampiani GBorriello MGemma SPanico APersico MCatalanotti BRos SBrindisi MAgnusdei MFiorini INacci VNovellino EBelinskaya TSaxena AFattorusso C Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors. J Med Chem 51:3154-70 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterases
Name:Cholinesterases; ACHE & BCHE
Synonyms:Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | Choline esterase II | Pseudocholinesterase
Type:Homotetramer
Mol. Mass.:68422.27
Organism:Homo sapiens (Human)
Description:P06276
Residue:602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
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  Blast E-value cutoff:
BDBM50271468
n/a
NameBDBM50271468
Synonyms:CHEMBL490060 | N-Ethyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N-{3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]propyl}-1,4-butanediamine
TypeSmall organic molecule
Emp. Form.C35H45N5
Mol. Mass.535.7653
SMILESCCN(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Structure
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