Reaction Details |
| Report a problem with these data |
Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
---|
Ligand | BDBM50001726 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1337301 (CHEMBL3241025) |
---|
IC50 | 480±n/a nM |
---|
Citation | Chang, YP; Banerjee, J; Dowell, C; Wu, J; Gyanda, R; Houghten, RA; Toll, L; McIntosh, JM; Armishaw, CJ Discovery of a potent and selectivea3ß4 nicotinic acetylcholine receptor antagonist from ana-conotoxin synthetic combinatorial library. J Med Chem57:3511-21 (2014) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
---|
Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-4 |
Synonyms: | Neuronal acetylcholine receptor Alpha-3/Beta-4 | Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit | Neuronal acetylcholine receptor; alpha3/beta4 | nAChR subtypes alpha3 beta4 |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 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
|
|
|
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
|
|
|
BDBM50001726 |
---|
n/a |
---|
Name | BDBM50001726 |
Synonyms: | CHEMBL3238026 |
Type | Small organic molecule |
Emp. Form. | C65H97N21O22S4 |
Mol. Mass. | 1652.853 |
SMILES | [H][C@@]12CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]3([H])CCCN3C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(C)C)C(O)=O |r| |
Structure |
|