Reaction Details |
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Target | Neuronal acetylcholine receptor subunit alpha-4/beta-2 |
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Ligand | BDBM50451612 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1745959 (CHEMBL4180469) |
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EC50 | >100000±n/a nM |
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Citation | Cook, J; Zusi, FC; Hill, MD; Fang, H; Pearce, B; Park, H; Gallagher, L; McDonald, IM; Bristow, L; Macor, JE; Olson, RE Design and synthesis of a novel series of (1'S,2R,4'S)-3H-4'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,2'-bicyclo[2.2.2]octanes] with high affinity for the ?7 neuronal nicotinic receptor. Bioorg Med Chem Lett27:5002-5005 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Neuronal acetylcholine receptor subunit alpha-4/beta-2 |
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Name: | Neuronal acetylcholine receptor subunit alpha-4/beta-2 |
Synonyms: | Neuronal acetylcholine receptor alpha4/beta2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | 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 subunit alpha-4 |
Synonyms: | ACHA4_RAT | Acra4 | Cholinergic, Nicotinic Alpha4Beta2 | Cholinergic, Nicotinic Alpha4Beta4 | Chrna4 | Neuronal acetylcholine receptor | 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: | Neuronal acetylcholine receptor subunit beta-2 |
Synonyms: | ACHB2_RAT | Acrb2 | Chrnb2 | N-alpha 1 | Neuronal acetylcholine receptor non-alpha-1 chain |
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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BDBM50451612 |
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n/a |
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Name | BDBM50451612 |
Synonyms: | CHEMBL4215131 |
Type | Small organic molecule |
Emp. Form. | C15H17N3O |
Mol. Mass. | 255.315 |
SMILES | C1n2c(O[C@]11CN3CCC1CC3)nc1ccccc21 |r,wU:4.3,THB:3:4:7.8:11.10,(19.66,-17.13,;20.86,-16.16,;20.3,-14.73,;18.76,-14.82,;18.37,-16.3,;18.67,-17.77,;17.24,-17.1,;15.62,-17.79,;15.41,-16.34,;16.96,-15.67,;17.03,-13.95,;17.5,-15.11,;21.49,-13.75,;22.78,-14.59,;24.26,-14.18,;25.36,-15.27,;24.97,-16.76,;23.48,-17.16,;22.39,-16.08,)| |
Structure |
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