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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 | ||
| Ligand | BDBM50446491 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1287913 (CHEMBL3112332) | ||
| Ki | 54400±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: |
| ||
| BDBM50446491 | |||
| n/a | |||
| Name | BDBM50446491 | ||
| Synonyms: | CHEMBL3110033 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H60N6 | ||
| Mol. Mass. | 564.8911 | ||
| SMILES | CCCCCCCN1[C@@H](CCCCN2C[C@@H](Cc3ccccc3)N(CC3CCC(CC3)C(C)(C)C)C2=N)CN=C1N |r,wU:8.8,wD:15.15,c:41,(7.26,-26.74,;5.72,-26.67,;4.89,-27.97,;3.35,-27.9,;2.52,-29.2,;3.23,-30.56,;4.78,-30.63,;5.48,-32,;6.95,-32.46,;8.29,-31.7,;9.62,-32.49,;10.96,-31.74,;12.29,-32.52,;13.63,-31.76,;15.1,-32.22,;15.99,-30.96,;17.53,-30.93,;18.28,-29.59,;19.82,-29.58,;20.57,-28.24,;19.78,-26.91,;18.24,-26.93,;17.48,-28.28,;15.06,-29.73,;15.74,-28.34,;14.91,-27.04,;15.63,-25.68,;14.81,-24.39,;13.28,-24.45,;12.56,-25.81,;13.38,-27.11,;12.46,-23.15,;13.17,-21.78,;10.92,-23.2,;11.67,-21.8,;13.6,-30.22,;12.35,-29.34,;6.97,-34,;5.51,-34.49,;4.59,-33.25,;3.05,-33.27,)| | ||
| Structure | 
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