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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 | ||
| Ligand | BDBM50446493 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1287913 (CHEMBL3112332) | ||
| Ki | 61750±n/a nM | ||
| Citation |  Wu, J; Zhang, Y; Maida, LE; Santos, RG; Welmaker, GS; LaVoi, TM; Nefzi, A; Yu, Y; Houghten, RA; Toll, L; Giulianotti, MA Scaffold ranking and positional scanning utilized in the discovery of nAChR-selective compounds suitable for optimization studies. J Med Chem56:10103-17 (2013) [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: |
| ||
| 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: |
| ||
| BDBM50446493 | |||
| n/a | |||
| Name | BDBM50446493 | ||
| Synonyms: | CHEMBL3110031 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C36H53FN6 | ||
| Mol. Mass. | 588.8446 | ||
| SMILES | CC(C)(C)C1CCC(CN2[C@H](Cc3ccccc3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccc(F)c3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(16.49,-4.75,;15.77,-6.11,;14.23,-6.17,;14.99,-4.77,;16.59,-7.42,;18.13,-7.36,;18.95,-8.65,;18.23,-10.01,;19.05,-11.3,;18.38,-12.7,;19.3,-13.92,;20.84,-13.9,;21.59,-12.56,;20.8,-11.24,;21.55,-9.9,;23.09,-9.87,;23.87,-11.19,;23.13,-12.54,;18.42,-15.19,;16.94,-14.73,;15.6,-15.49,;14.28,-14.71,;12.93,-15.46,;11.6,-14.67,;10.27,-15.43,;10.28,-16.97,;8.82,-17.46,;7.9,-16.22,;6.36,-16.24,;8.8,-14.97,;8.09,-13.6,;6.55,-13.53,;5.77,-12.2,;4.23,-12.21,;3.45,-10.88,;4.21,-9.55,;5.75,-9.54,;6.51,-8.2,;6.53,-10.86,;16.92,-13.19,;15.66,-12.31,;16.7,-10.08,;15.88,-8.78,)| | ||
| Structure | 
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