Reaction Details |
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Target | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 |
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Ligand | BDBM50238588 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1663455 (CHEMBL4013136) |
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IC50 | >10000±n/a nM |
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Citation | Wu, Y; Zhangsun, D; Zhu, X; Kaas, Q; Zhangsun, M; Harvey, PJ; Craik, DJ; McIntosh, JM; Luo, S a-Conotoxin [S9A]TxID Potently Discriminates betweena3ß4 anda6/a3ß4 Nicotinic Acetylcholine Receptors. J Med Chem60:5826-5833 (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/alpha-6/beta-4 |
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Name: | Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4 |
Synonyms: | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2103200 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Neuronal acetylcholine receptor subunit alpha-3 |
Synonyms: | ACHA3_RAT | Acra3 | Chrna3 |
Type: | Enzyme |
Mol. Mass.: | 56995.52 |
Organism: | Rattus norvegicus (Rat) |
Description: | P04757 |
Residue: | 499 |
Sequence: | MGVVLLPPPLSMLMLVLMLLPAASASEAEHRLFQYLFEDYNEIIRPVANVSHPVIIQFEV
SMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWKPSDYQGVEFMRVPAEKIWKPDIVLYNN
ADGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAK
IDLVLIGSSMNLKDYWESGEWAIIKAPGYKHEIKYNCCEEIYQDITYSLYIRRLPLFYTI
NLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGE
YLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPTWVKAVFLNLLPRVMFMTRPTSGEGDT
PKTRTFYGAELSNLNCFSRADSKSCKEGYPCQDGTCGYCHHRRVKISNFSANLTRSSSSE
SVNAVLSLSALSPEIKEAIQSVKYIAENMKAQNVAKEIQDDWKYVAMVIDRIFLWVFILV
CILGTAGLFLQPLMARDDT
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Component 2 |
Name: | Neuronal acetylcholine receptor subunit beta-4 |
Synonyms: | ACHB4_RAT | Acrb4 | Chrnb4 | N-alpha 2 | Neuronal acetylcholine receptor non-alpha-2
chain | Neuronal acetylcholine receptor protein beta-4 subunit |
Type: | Enzyme |
Mol. Mass.: | 55863.89 |
Organism: | Rattus norvegicus (Rat) |
Description: | P12392 |
Residue: | 495 |
Sequence: | MRGTPLLLVSLFSLLQDGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELS
LSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNA
DGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEI
DMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLII
PCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLF
TMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSLVRVPH
PSQLHLATADTAATSALGPTSPSNLYGSSMYFVNPVPAAPKSAVSSHTAGLPRDARLRSS
GRFREDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVFVCILGTMGL
FLPPLFQIHAPSKDS
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Component 3 |
Name: | Neuronal acetylcholine receptor subunit alpha-6 |
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 |
Type: | PROTEIN |
Mol. Mass.: | 56943.53 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_1454451 |
Residue: | 493 |
Sequence: | MLNGWGRGDLRSGLCLWICGFLAFFKGSRGCVSEEQLFHTLFAHYNRFIRPVENVSDPVT
VHFELAITQLANVDEVNQIMETNLWLRHVWKDYRLCWDPTEYDGIETLRVPADNIWKPDI
VLYNNAVGDFQVEGKTKALLKYDGVITWTPPAIFKSSCPMDITFFPFDHQNCSLKFGSWT
YDKAEIDLLIIGSKVDMNDFWENSEWEIVDASGYKHDIKYNCCEEIYTDITYSFYIRRLP
MFYTINLIIPCLFISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVI
PLVGEYLLFTMIFVTLSIVVTVFVLNIHYRTPATHTMPKWVKTMFLQVFPSILMMRRPLD
KTKEMDGVKDPKTHTKRPAKVKFTHRKEPKLLKECRHCHKSSEIAPGKRLSQQPAQWVTE
NSEHPPDVEDVIDSVQFIAENMKSHNETKEVEDDWKYMAMVVDRVFLWVFIIVCVFGTVG
LFLQPLLGNTGAS
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BDBM50238588 |
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n/a |
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Name | BDBM50238588 |
Synonyms: | CHEMBL4099937 |
Type | Small organic molecule |
Emp. Form. | C57H90N18O18S5 |
Mol. Mass. | 1475.759 |
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)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 |r| |
Structure |
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