| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
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| Ligand | BDBM50194315 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1691730 (CHEMBL4042379) |
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| IC50 | 2780±n/a nM |
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| Citation |  Bolchi, C; Bavo, F; Gotti, C; Fumagalli, L; Fasoli, F; Binda, M; Mucchietto, V; Sciaccaluga, M; Plutino, S; Fucile, S; Pallavicini, M From pyrrolidinyl-benzodioxane to pyrrolidinyl-pyridodioxanes, or from unselective antagonism to selective partial agonism at?4?2 nicotinic acetylcholine receptor. Eur J Med Chem125:1132-1144 (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-3/beta-4 |
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| Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
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| Synonyms: | Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit | Neuronal acetylcholine receptor; alpha3/beta4 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1970247 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Neuronal acetylcholine receptor subunit beta-4 |
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| Synonyms: | ACHB4_HUMAN | CHRNB4 | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 56388.51 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 0 HUMAN::P30926 |
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| Residue: | 498 |
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| Sequence: | MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIKLQL
SLAQLISVNEREQIMTTNVWLKQEWTDYRLTWNSSRYEGVNILRIPAKRIWLPDIVLYNN
ADGTYEVSVYTNLIVRSNGSVLWLPPAIYKSACKIEVKYFPFDQQNCTLKFRSWTYDHTE
IDMVLMTPTASMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLI
IPCVLTTLLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDVPLIGKYLM
FTMVLVTFSIVTSVCVLNVHHRSPSTHTMAPWVKRCFLHKLPTFLFMKRPGPDSSPARAF
PPSKSCVTKPEATATSTSPSNFYGNSMYFVNPASAASKSPAGSTPVAIPRDFWLRSSGRF
RQDVQEALEGVSFIAQHMKNDDEDQSVVEDWKYVAMVVDRLFLWVFMFVCVLGTVGLFLP
PLFQTHAASEGPYAAQRD
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| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit alpha-3 |
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| Synonyms: | ACHA3_HUMAN | CHRNA3 | Cholinergic, Nicotinic Alpha3Beta2 | Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | NACHRA3 | Neuronal acetylcholine receptor protein alpha-3 subunit | Neuronal acetylcholine receptor subunit alpha-3 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | nicotinic central |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 57479.03 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Cholinergic, Nicotinic Alpha3Beta2 0 HUMAN::P32297 |
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| Residue: | 505 |
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| Sequence: | MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPV
IIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPD
IVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSW
SYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRL
PLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLV
IPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPT
SNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLT
RSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFL
WVFTLVCILGTAGLFLQPLMAREDA
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| BDBM50194315 |
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| n/a |
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| Name | BDBM50194315 |
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| Synonyms: | (2R,2'S)-2-(1-methyl-2-pyrrolidinyl)-1,4-benzodioxane hydrochloride | (S)-2-((R)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1-methylpyrrolidine hydrochloride | CHEMBL481368 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H17NO2 |
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| Mol. Mass. | 219.2796 |
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| SMILES | CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 |
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| Structure | 
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