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TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2
LigandBDBM50419839
Substrate/Competitorn/a
Meas. Tech.ChEMBL_804324 (CHEMBL1954620)
IC50 5623.41±n/a nM
Citation Henderson, BJ; Orac, CM; Maciagiewicz, I; Bergmeier, SC; McKay, 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
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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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BDBM50419839
n/a
NameBDBM50419839
Synonyms:CHEMBL1950522
TypeSmall organic molecule
Emp. Form.C28H31N3O4
Mol. Mass.473.5634
SMILESCc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2c[nH]c3ccccc23)C1 |(1.63,7.77,;2.54,6.53,;4.07,6.53,;4.54,5.07,;6.01,4.6,;3.31,4.17,;2.07,5.07,;.52,5.08,;3.31,2.64,;4.64,1.87,;4.64,.32,;3.31,-.44,;1.98,.33,;1.98,1.87,;.65,2.65,;.66,4.19,;-.68,1.88,;-2.02,2.65,;-3.35,1.89,;-4.68,2.67,;-6.01,1.89,;-6.01,.35,;-4.68,-.41,;-4.68,-1.95,;-3.35,-2.72,;-3.35,-4.26,;-4.6,-5.17,;-4.12,-6.63,;-2.58,-6.63,;-1.56,-7.77,;-.05,-7.45,;.42,-5.98,;-.61,-4.85,;-2.11,-5.17,;-3.35,.35,)|
Structure
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