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TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2
LigandBDBM50419802
Substrate/Competitorn/a
Meas. Tech.ChEMBL_804324 (CHEMBL1954620)
IC50 4466.84±n/a nM
Citation Henderson, BJOrac, CMMaciagiewicz, IBergmeier, SCMcKay, DB 3D-QSAR and 3D-QSSR models of negative allosteric modulators facilitate the design of a novel selective antagonist of humana4ß2 neuronal nicotinic acetylcholine receptors. Bioorg Med Chem Lett22:1797-813 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Name:Neuronal acetylcholine receptor subunit alpha-4/beta-2
Synonyms:Neuronal acetylcholine receptor Alpha-4/Beta-2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | Neuronal acetylcholine receptor; alpha4/beta2 | nAChR subtypes alpha4 beta2
Type:Protein
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:Neuronal acetylcholine receptor subunit alpha-4
Synonyms:ACHA4_HUMAN | CHRNA4 | CHRNA4 protein | NACRA4 | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5
Type:n/a
Mol. Mass.:69963.49
Organism:Homo sapiens (Human)
Description:NACHRA4
Residue:627
Sequence:
MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISD
VVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWR
PDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFG
SWTYDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFVIR
RLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTS
LVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPTWVRRVFLDIVPRLLLMKR
PSVVKDNCRRLIESMHKMASAPRFWPEPEGEPPATSGTQSLHPPSPSFCVPLDVPAEPGP
SCKSPSDQLPPQQPLEAEKASPHPSPGPCRPPHGTQAPGLAKARSLSVQHMSSPGEAVEG
GVRCRSRSIQYCVPRDDAAPEADGQAAGALASRNTHSAELPPPDQPSPCKCTCKKEPSSV
SPSATVKTRSTKAPPPHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDR
IFLWMFIIVCLLGTVGLFLPPWLAGMI
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Component 2
Name:Neuronal acetylcholine receptor subunit beta-2
Synonyms:ACHB2_HUMAN | CHRNB2 | Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5
Type:Protein
Mol. Mass.:57020.50
Organism:Homo sapiens (Human)
Description:P17787
Residue:502
Sequence:
MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQL
MVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLY
NNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDR
TEIDLVLKSEVASLDDFTPSGEWDIVALPGRRNENPDDSTYVDITYDFIIRRKPLFYTIN
LIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKY
LMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPALLFMQQPRHHCARQR
LRLRRRQREREGAGALFFREAPGADSCTCFVNRASVQGLAGAFGAEPAPVAGPGRSGEPC
GCGLREAVDGVRFIADHMRSEDDDQSVSEDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQ
PLFQNYTTTTFLHSDHSAPSSK
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BDBM50419802
n/a
NameBDBM50419802
Synonyms:CHEMBL1949684
TypeSmall organic molecule
Emp. Form.C26H30N2O4
Mol. Mass.434.5274
SMILESCCN1CCCC(COC(=O)c2ccccc2-n2c(O)cc(Cc3ccccc3)c2O)C1 |(-5.06,-6,;-6.39,-5.23,;-6.39,-3.69,;-7.72,-2.93,;-7.72,-1.39,;-6.39,-.61,;-5.06,-1.39,;-3.73,-.62,;-2.39,-1.39,;-1.06,-.63,;-1.05,.91,;.27,-1.4,;.27,-2.94,;1.6,-3.72,;2.93,-2.95,;2.93,-1.4,;1.6,-.64,;1.61,.89,;.36,1.79,;-1.18,1.8,;.83,3.25,;2.36,3.25,;3.11,4.6,;4.65,4.62,;5.43,3.3,;6.97,3.33,;7.72,4.67,;6.92,6,;5.38,5.97,;2.84,1.79,;4.3,1.32,;-5.06,-2.93,)|
Structure
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