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Target
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
Ligand
BDBM50238606
Substrate
n/a
Meas. Tech.
ChEMBL_1663468 (CHEMBL4013149)
IC50
1.5±n/a nM
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 Chem 60:5826-5833 (2017) [PubMed]  Article 
Target
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:
MGVVLLPPPLSMLMLVLMLLPAASASEAEHRLFQYLFEDYNEIIRPVANVSHPVIIQFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWKPSDYQGVEFMRVPAEKIWKPDIVLYNNADGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSWSYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHEIKYNCCEEIYQDITYSLYIRRLPLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPTWVKAVFLNLLPRVMFMTRPTSGEGDTPKTRTFYGAELSNLNCFSRADSKSCKEGYPCQDGTCGYCHHRRVKISNFSANLTRSSSSESVNAVLSLSALSPEIKEAIQSVKYIAENMKAQNVAKEIQDDWKYVAMVIDRIFLWVFILVCILGTAGLFLQPLMARDDT
  
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:
MRGTPLLLVSLFSLLQDGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELSLSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNADGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEIDMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLFTMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSLVRVPHPSQLHLATADTAATSALGPTSPSNLYGSSMYFVNPVPAAPKSAVSSHTAGLPRDARLRSSGRFREDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVFVCILGTMGLFLPPLFQIHAPSKDS
  
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:
MLNGWGRGDLRSGLCLWICGFLAFFKGSRGCVSEEQLFHTLFAHYNRFIRPVENVSDPVTVHFELAITQLANVDEVNQIMETNLWLRHVWKDYRLCWDPTEYDGIETLRVPADNIWKPDIVLYNNAVGDFQVEGKTKALLKYDGVITWTPPAIFKSSCPMDITFFPFDHQNCSLKFGSWTYDKAEIDLLIIGSKVDMNDFWENSEWEIVDASGYKHDIKYNCCEEIYTDITYSFYIRRLPMFYTINLIIPCLFISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLVIPLVGEYLLFTMIFVTLSIVVTVFVLNIHYRTPATHTMPKWVKTMFLQVFPSILMMRRPLDKTKEMDGVKDPKTHTKRPAKVKFTHRKEPKLLKECRHCHKSSEIAPGKRLSQQPAQWVTENSEHPPDVEDVIDSVQFIAENMKSHNETKEVEDDWKYMAMVVDRVFLWVFIIVCVFGTVGLFLQPLLGNTGAS
  
Inhibitor
Name:
BDBM50238606
Synonyms:
CHEMBL4099865
Type:
Small organic molecule
Emp. Form.:
C54H82N14O16S4
Mol. Mass.:
1311.573
SMILES:
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2)C(C)C |r|
Structure:
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