Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
LigandBDBM50238613
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1663455 (CHEMBL4013136)
IC50>10000±n/a nM
Citation Wu, YZhangsun, DZhu, XKaas, QZhangsun, MHarvey, PJCraik, DJMcIntosh, JMLuo, S a-Conotoxin [S9A]TxID Potently Discriminates betweena3ß4 anda6/a3ß4 Nicotinic Acetylcholine Receptors. J Med Chem60:5826-5833 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-4
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50238613
n/a
NameBDBM50238613
Synonyms:CHEMBL4061690
TypeSmall organic molecule
Emp. Form.C56H88N18O18S4
Mol. Mass.1429.668
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)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)C)C(=O)N2 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: