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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 | ||
| Ligand | BDBM50446507 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1287913 (CHEMBL3112332) | ||
| Ki | 27550±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: |
| ||
| BDBM50446507 | |||
| n/a | |||
| Name | BDBM50446507 | ||
| Synonyms: | CHEMBL3110045 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H47N7 | ||
| Mol. Mass. | 481.7197 | ||
| SMILES | CC(C)(C)C1CCC(CN2CCN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:17.16,t:19,(14.54,-20.86,;13.82,-22.22,;12.28,-22.28,;13.04,-20.88,;14.64,-23.53,;16.18,-23.47,;16.99,-24.76,;16.28,-26.12,;17.1,-27.41,;16.42,-28.81,;17.35,-30.03,;16.46,-31.3,;14.99,-30.84,;13.65,-31.6,;12.32,-30.82,;10.98,-31.57,;9.65,-30.78,;8.31,-31.54,;8.33,-33.08,;6.87,-33.57,;5.95,-32.33,;4.41,-32.35,;6.84,-31.08,;6.14,-29.71,;4.59,-29.64,;3.82,-28.31,;4.58,-26.97,;3.79,-25.65,;2.26,-25.66,;1.49,-26.99,;2.28,-28.32,;14.97,-29.3,;13.71,-28.42,;14.75,-26.19,;13.93,-24.89,)| | ||
| Structure | 
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