| Reaction Details |
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 | Report a problem with these data |
| Target | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3 |
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| Ligand | BDBM50567435 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2103225 (CHEMBL4811728) |
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| IC50 | 3.1±n/a nM |
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| Citation |  Hone, AJ; Kaas, Q; Kearns, I; Hararah, F; Gajewiak, J; Christensen, S; Craik, DJ; McIntosh, JM Computational and Functional Mapping of Human and Rat ?6?4 Nicotinic Acetylcholine Receptors Reveals Species-Specific Ligand-Binding Motifs. J Med Chem64:1685-1700 (2021) [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/alpha-6/beta-2/beta-3 |
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| Name: | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3 |
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| Synonyms: | Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3 |
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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 2103225 |
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| Components: | This complex has 4 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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| Component 3 |
| Name: | Neuronal acetylcholine receptor subunit beta-3 |
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| Synonyms: | ACHB3_RAT | Acrb3 | Chrnb3 | Neuronal acetylcholine receptor protein beta-3 subunit |
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| Type: | PROTEIN |
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| Mol. Mass.: | 53270.05 |
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| Organism: | Rattus norvegicus |
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| Description: | EBI_10644 |
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| Residue: | 464 |
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| Sequence: | MTGFLRVFLVLSATLSGSWVTLTATAGLSSVAEHEDALLRHLFQGYQKWVRPVLNSSDII
KVYFGLKISQLVDVDEKNQLMTTNVWLKQEWTDQKLRWNPEEYGGINSIKVPSESLWLPD
IVLFENADGRFEGSLMTKAIVKSSGTVSWTPPASYKSSCTMDVTFFPFDRQNCSMKFGSW
TYDGTMVDLILINENVDRKDFFDNGEWEILNAKGMKGNRREGFYSYPFVTYSFVLRRLPL
FYTLFLIIPCLGLSFLTVLVFYLPSDEGEKLSLSTSVLVSLTVFLLVIEEIIPSSSKVIP
LIGEYLLFIMIFVTLSIIVTVFVINVHHRSSSTYHPMAPWVKRLFLQRLPRWLCMKDPMD
RFSFPDGKESDTAVRGKVSGKRKQTPASDGERVLVAFLEKASESIRYISRHVKKEHFISQ
VVQDWKFVAQVLDRIFLWLFLIASVLGSILIFIPALKMWIHRFH
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| Component 4 |
| Name: | Neuronal acetylcholine receptor subunit alpha-6 |
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| Synonyms: | ACHA6_RAT | Acra6 | Chrna6 | Neuronal acetylcholine receptor protein alpha-6 subunit | Neuronal acetylcholine receptor subunit alpha-6 | Neuronal acetylcholine receptor subunit alpha-6/beta-3 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 56943.53 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_1454451 |
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| Residue: | 493 |
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| Sequence: | MLNGWGRGDLRSGLCLWICGFLAFFKGSRGCVSEEQLFHTLFAHYNRFIRPVENVSDPVT
VHFELAITQLANVDEVNQIMETNLWLRHVWKDYRLCWDPTEYDGIETLRVPADNIWKPDI
VLYNNAVGDFQVEGKTKALLKYDGVITWTPPAIFKSSCPMDITFFPFDHQNCSLKFGSWT
YDKAEIDLLIIGSKVDMNDFWENSEWEIVDASGYKHDIKYNCCEEIYTDITYSFYIRRLP
MFYTINLIIPCLFISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVI
PLVGEYLLFTMIFVTLSIVVTVFVLNIHYRTPATHTMPKWVKTMFLQVFPSILMMRRPLD
KTKEMDGVKDPKTHTKRPAKVKFTHRKEPKLLKECRHCHKSSEIAPGKRLSQQPAQWVTE
NSEHPPDVEDVIDSVQFIAENMKSHNETKEVEDDWKYMAMVVDRVFLWVFIIVCVFGTVG
LFLQPLLGNTGAS
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| BDBM50567435 |
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| n/a |
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| Name | BDBM50567435 |
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| Synonyms: | CHEMBL4872191 |
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| Type | Small organic molecule |
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| Emp. Form. | C69H114N30O17S4 |
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| Mol. Mass. | 1764.094 |
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| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)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)C)C(=O)N2 |r| |
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| Structure | 
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