Target
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-3
Ligand
BDBM50445322
Substrate
n/a
Meas. Tech.
ChEMBL_1285295 (CHEMBL3107446)
IC50
28±n/a nM
Citation
 Luo, SZhangsun, DZhu, XWu, YHu, YChristensen, SHarvey, PJAkcan, MCraik, DJMcIntosh, JM Characterization of a novela-conotoxin TxID from Conus textile that potently blocks rata3ß4 nicotinic acetylcholine receptors. J Med Chem 56:9655-63 (2014) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-3
Synonyms:
Nicotinic acetylcholine receptor alpha6/alpha3/beta2/beta3
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1285295
Components:
This complex has 4 components.
Component 1
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
  
Component 2
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 3
Name:
Neuronal acetylcholine receptor subunit beta-3
Synonyms:
ACHB3_RAT | Acrb3 | Chrnb3 | Neuronal acetylcholine receptor protein beta-3 subunit
Type:
PROTEIN
Mol. Mass.:
53270.05
Organism:
Rattus norvegicus
Description:
EBI_10644
Residue:
464
Sequence:
MTGFLRVFLVLSATLSGSWVTLTATAGLSSVAEHEDALLRHLFQGYQKWVRPVLNSSDIIKVYFGLKISQLVDVDEKNQLMTTNVWLKQEWTDQKLRWNPEEYGGINSIKVPSESLWLPDIVLFENADGRFEGSLMTKAIVKSSGTVSWTPPASYKSSCTMDVTFFPFDRQNCSMKFGSWTYDGTMVDLILINENVDRKDFFDNGEWEILNAKGMKGNRREGFYSYPFVTYSFVLRRLPLFYTLFLIIPCLGLSFLTVLVFYLPSDEGEKLSLSTSVLVSLTVFLLVIEEIIPSSSKVIPLIGEYLLFIMIFVTLSIIVTVFVINVHHRSSSTYHPMAPWVKRLFLQRLPRWLCMKDPMDRFSFPDGKESDTAVRGKVSGKRKQTPASDGERVLVAFLEKASESIRYISRHVKKEHFISQVVQDWKFVAQVLDRIFLWLFLIASVLGSILIFIPALKMWIHRFH
  
Component 4
Name:
Neuronal acetylcholine receptor subunit beta-3
Synonyms:
ACHB3_RAT | Acrb3 | Chrnb3 | Neuronal acetylcholine receptor protein beta-3 subunit
Type:
PROTEIN
Mol. Mass.:
53270.05
Organism:
Rattus norvegicus
Description:
EBI_10644
Residue:
464
Sequence:
MTGFLRVFLVLSATLSGSWVTLTATAGLSSVAEHEDALLRHLFQGYQKWVRPVLNSSDIIKVYFGLKISQLVDVDEKNQLMTTNVWLKQEWTDQKLRWNPEEYGGINSIKVPSESLWLPDIVLFENADGRFEGSLMTKAIVKSSGTVSWTPPASYKSSCTMDVTFFPFDRQNCSMKFGSWTYDGTMVDLILINENVDRKDFFDNGEWEILNAKGMKGNRREGFYSYPFVTYSFVLRRLPLFYTLFLIIPCLGLSFLTVLVFYLPSDEGEKLSLSTSVLVSLTVFLLVIEEIIPSSSKVIPLIGEYLLFIMIFVTLSIIVTVFVINVHHRSSSTYHPMAPWVKRLFLQRLPRWLCMKDPMDRFSFPDGKESDTAVRGKVSGKRKQTPASDGERVLVAFLEKASESIRYISRHVKKEHFISQVVQDWKFVAQVLDRIFLWLFLIASVLGSILIFIPALKMWIHRFH
  
Inhibitor
Name:
BDBM50445322
Synonyms:
CHEMBL3104235
Type:
Small organic molecule
Emp. Form.:
C68H106N24O22S4
Mol. Mass.:
1739.977
SMILES:
CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN=C(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](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r,wU:90.93,107.110,114.118,50.52,33.35,23.24,16.20,4.3,wD:66.68,75.76,96.99,61.122,42.44,8.8,80.86,(43.13,-37.82,;41.96,-36.81,;40.51,-37.32,;42.25,-35.3,;41.09,-34.29,;41.4,-32.79,;42.84,-32.28,;44,-33.29,;43.14,-30.77,;41.97,-29.77,;40.52,-30.26,;40.23,-31.77,;39.37,-29.26,;44.59,-30.27,;44.88,-28.76,;43.73,-27.76,;46.34,-28.27,;47.45,-29.35,;48.78,-28.34,;48.23,-26.75,;46.55,-26.78,;45.54,-25.63,;44.02,-25.93,;46.03,-24.17,;47.53,-23.86,;48.03,-22.4,;47.14,-21.16,;48.05,-19.92,;49.5,-20.41,;49.49,-21.95,;45.01,-23.02,;43.5,-23.32,;43.01,-24.78,;42.48,-22.16,;42.98,-20.71,;44.48,-20.41,;44.97,-18.95,;46.48,-18.65,;46.97,-17.19,;40.97,-22.47,;39.96,-21.31,;40.45,-19.85,;38.45,-21.63,;37.96,-23.09,;38.97,-24.23,;40.48,-23.93,;38.48,-25.69,;37.43,-20.47,;35.92,-20.76,;35.43,-22.22,;34.91,-19.61,;35.4,-18.17,;36.91,-17.86,;37.4,-16.4,;38.91,-16.1,;39.4,-14.63,;38.38,-13.48,;40.91,-14.33,;33.41,-19.92,;32.38,-18.77,;32.87,-17.31,;30.87,-19.08,;30.38,-20.54,;31.42,-23.87,;18.16,-31.35,;16.18,-29.7,;14.64,-29.73,;13.88,-31.06,;12.34,-31.07,;11.56,-29.74,;11.58,-32.41,;10.03,-32.42,;13.9,-28.36,;12.36,-28.33,;14.66,-27.04,;16.21,-27.04,;17,-28.38,;18.52,-28.38,;35.27,-36.29,;36.73,-35.8,;37.89,-36.8,;39.35,-36.3,;39.64,-34.79,;38.48,-33.79,;37.6,-38.31,;36.14,-38.82,;38.76,-39.32,;16.99,-25.72,;16.21,-24.4,;18.53,-25.72,;19.3,-24.4,;18.53,-23.08,;19.3,-21.74,;20.85,-24.4,;21.62,-25.74,;21.61,-23.08,;23.16,-23.08,;23.93,-24.42,;25.46,-24.42,;26.23,-25.77,;26.22,-23.1,;23.92,-21.75,;25.48,-21.75,;23.16,-20.43,;21.53,-20.11,;21.31,-18.46,;22.81,-17.74,;23.68,-19.02,;25.21,-18.82,;26.07,-20.1,;25.88,-17.45,;25.21,-15.91,;26.46,-14.79,;27.91,-15.63,;27.33,-17.07,;28.36,-18.23,;27.86,-19.68,;29.86,-17.92,)|
Structure:
Search PDB for entries with ligand similarity: