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TargetNeuronal acetylcholine receptor protein alpha-4/beta-2 subunit
LigandBDBM50211195
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1636039
EC50>100000±n/a nM
Citation Cook JZusi FCMcDonald IMKing DHill MDIwuagwu CMate RAFang HZhao RWang BCutrone JMa BGao QKnox RJMatchett MGallagher LFerrante MPost-Munson DMolski TEaston AMiller RJones KDigavalli SHealy FLentz KBenitex YClarke WNatale JSiuciak JALodge NZaczek RDenton RMorgan DBristow LJMacor JEOlson RE Design and Synthesis of a New Series of 4-Heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 Nicotinic Receptor Agonists. 1. Development of Pharmacophore and Early Structure-Activity Relationship. J Med Chem 59:11171-11181 (2016) [PubMed]  Article
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Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit
Name:Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit
Synonyms:Neuronal acetylcholine receptor alpha4/beta2 | Neuronal acetylcholine receptor; alpha4/beta2
Type:n/a
Mol. Mass.:n/a
Description:n/a
Components:This complex has 0 components.
Component 1
Name:Neuronal acetylcholine receptor
Synonyms:CHRNA4 | Cholinergic, Nicotinic Alpha4Beta2 | Cholinergic, Nicotinic Alpha4Beta4 | Neuronal acetylcholine receptor (alpha4beta2 nAChR) | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Neuronal acetylcholine receptor subunit alpha-4
Type:Enzyme
Mol. Mass.:70196.44
Organism:Rattus norvegicus (Rat)
Description:P09483
Residue:630
Sequence:
MANSGTGAPPPLLLLPLLLLLGTGLLPASSHIETRAHAEERLLKRLFSGYNKWSRPVANI
SDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPGDYENVTSIRIPSELI
WRPDIVLYNNADGDFAVTHLTKAHLFYDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMK
FGSWTYDKAKIDLVSMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFI
IRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKVTLCISVLLSLTVFLLLITEIIPS
PTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPAWVRRVFLDIVPRLLF
MKRPSVVKDNCRRLIESMHKMANAPRFWPEPVGEPGILSDICNQGLSPAPTFCNPTDTAV
ETQPTCRSPPLEVPDLKTSEVEKASPCPSPGSCPPPKSSSGAPMLIKARSLSVQHVPSSQ
EAAEDGIRCRSRSIQYCVSQDGAASLADSKPTSSPTSLKARPSQLPVSDQASPCKCTCKE
PSPVSPVTVLKAGGTKAPPQHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAM
VIDRIFLWMFIIVCLLGTVGLFLPPWLAAC
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Component 2
Name:Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3
Synonyms:N-alpha 1 | Neuronal acetylcholine receptor | Neuronal acetylcholine receptor non-alpha-1 chain | Neuronal acetylcholine receptor subunit beta-2
Type:Enzyme
Mol. Mass.:56910.32
Organism:Rattus norvegicus (Rat)
Description:P12390
Residue:500
Sequence:
MAGHSNSMALFSFSLLWLCSGVLGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLM
VSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEDFDNMKKVRLPSKHIWLPDVVLYN
NADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRT
EIDLVLKSDVASLDDFTPSGEWDIIALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINL
IIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYL
MFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPTLLFLQQPRHRCARQRL
RLRRRQREREGAGALFFREGPAADPCTCFVNPASVQGLAGAFRAEPTAAGPGRSVGPCSC
GLREAVDGVRFIADHMRSEDDDQSVREDWKYVAMVIDRLFLWIFVFVCVFGTVGMFLQPL
FQNYTATTFLHPDHSAPSSK
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BDBM50211195
n/a
NameBDBM50211195
Synonyms:CHEMBL3944506
TypeSmall organic molecule
Emp. Form.C17H20N4O2S
Mol. Mass.344.431
SMILESCOc1ccc2nc(NC3=NC[C@@]4(CN5CCC4CC5)O3)sc2c1 |r,wU:12.21,t:9,THB:20:12:15.16:19.18,(37.09,-40.85,;35.6,-40.46,;34.52,-41.55,;34.92,-43.04,;33.83,-44.12,;32.35,-43.73,;31.07,-44.57,;29.87,-43.61,;28.38,-44.01,;27.98,-45.5,;28.96,-46.69,;28.12,-47.99,;26.63,-47.59,;26.93,-49.11,;25.44,-48.42,;23.78,-49.14,;23.56,-47.64,;25.16,-46.94,;25.24,-45.16,;25.72,-46.36,;26.55,-46.05,;30.42,-42.17,;31.96,-42.24,;33.04,-41.16,)|
Structure
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