Reaction Details |
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Target | Neuronal acetylcholine receptor subunit alpha-4/beta-2 |
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Ligand | BDBM50161089 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_157 (CHEMBL857972) |
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Ki | 2.51±n/a nM |
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Citation | Gohlke, H; Schwarz, S; Gündisch, D; Tilotta, MC; Weber, A; Wegge, T; Seitz, G 3D QSAR analyses-guided rational design of novel ligands for the (alpha4)2(beta2)3 nicotinic acetylcholine receptor. J Med Chem46:2031-48 (2003) [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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BDBM50161089 |
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n/a |
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Name | BDBM50161089 |
Synonyms: | 11-Chloro-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one | CHEMBL294311 |
Type | Small organic molecule |
Emp. Form. | C11H13ClN2O |
Mol. Mass. | 224.687 |
SMILES | Clc1ccc(=O)n2CC3CNCC(C3)c12 |THB:1:14:13:10.11.9| |
Structure |
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