| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-2 |
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| Ligand | BDBM50445326 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1864272 (CHEMBL4365247) |
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| IC50 | 19±n/a nM |
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| Citation |  Hone, AJ; Fisher, F; Christensen, S; Gajewiak, J; Larkin, D; Whiteaker, P; McIntosh, JM PeIA-5466: A Novel Peptide Antagonist Containing Non-natural Amino Acids That Selectively Targets ?3?2 Nicotinic Acetylcholine Receptors. J Med Chem62:6262-6275 (2019) [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-2 |
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| Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-2 |
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| Synonyms: | Neuronal acetylcholine receptor Alpha-3/Beta-2 | Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit | Neuronal acetylcholine receptor; alpha3/beta2 | nAChR subtypes alpha3 beta2 |
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| Type: | Protein |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Neuronal acetylcholine receptor subunit alpha-3 |
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| Synonyms: | ACHA3_RAT | Acra3 | Chrna3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 56995.52 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P04757 |
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| Residue: | 499 |
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| Sequence: | MGVVLLPPPLSMLMLVLMLLPAASASEAEHRLFQYLFEDYNEIIRPVANVSHPVIIQFEV
SMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWKPSDYQGVEFMRVPAEKIWKPDIVLYNN
ADGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAK
IDLVLIGSSMNLKDYWESGEWAIIKAPGYKHEIKYNCCEEIYQDITYSLYIRRLPLFYTI
NLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGE
YLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPTWVKAVFLNLLPRVMFMTRPTSGEGDT
PKTRTFYGAELSNLNCFSRADSKSCKEGYPCQDGTCGYCHHRRVKISNFSANLTRSSSSE
SVNAVLSLSALSPEIKEAIQSVKYIAENMKAQNVAKEIQDDWKYVAMVIDRIFLWVFILV
CILGTAGLFLQPLMARDDT
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| Component 2 |
| Name: | Neuronal acetylcholine receptor subunit beta-2 |
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| Synonyms: | ACHB2_RAT | Acrb2 | Chrnb2 | N-alpha 1 | Neuronal acetylcholine receptor non-alpha-1 chain |
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| Type: | Enzyme |
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| Mol. Mass.: | 56910.32 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P12390 |
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| Residue: | 500 |
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| Sequence: | MAGHSNSMALFSFSLLWLCSGVLGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLM
VSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEDFDNMKKVRLPSKHIWLPDVVLYN
NADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRT
EIDLVLKSDVASLDDFTPSGEWDIIALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINL
IIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYL
MFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPTLLFLQQPRHRCARQRL
RLRRRQREREGAGALFFREGPAADPCTCFVNPASVQGLAGAFRAEPTAAGPGRSVGPCSC
GLREAVDGVRFIADHMRSEDDDQSVREDWKYVAMVIDRLFLWIFVFVCVFGTVGMFLQPL
FQNYTATTFLHPDHSAPSSK
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| BDBM50445326 |
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| n/a |
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| Name | BDBM50445326 |
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| Synonyms: | CHEMBL3104239 |
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| Type | Small organic molecule |
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| Emp. Form. | C65H98N22O21S4 |
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| Mol. Mass. | 1651.868 |
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| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| |
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| Structure | 
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