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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 | ||
| Ligand | BDBM50446504 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1287913 (CHEMBL3112332) | ||
| Ki | 59678±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: |
| ||
| BDBM50446504 | |||
| n/a | |||
| Name | BDBM50446504 | ||
| Synonyms: | CHEMBL3110048 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H59N7 | ||
| Mol. Mass. | 577.8899 | ||
| SMILES | CC(C)(C)C1CCC(CN2[C@H](CC3CCCCC3)CN(CCCC[C@H]3CN=C(N)N3CCc3cccnc3)C2=N)CC1 |r,wU:24.24,wD:10.10,t:27,(37.57,-37.53,;36.85,-38.89,;35.31,-38.95,;36.07,-37.55,;37.67,-40.19,;39.21,-40.13,;40.02,-41.43,;39.31,-42.78,;40.13,-44.08,;39.45,-45.47,;40.38,-46.7,;41.92,-46.67,;42.71,-47.99,;41.96,-49.34,;42.75,-50.65,;44.29,-50.64,;45.04,-49.29,;44.25,-47.96,;39.49,-47.96,;38.02,-47.51,;36.68,-48.26,;35.35,-47.48,;34.01,-48.24,;32.68,-47.45,;31.34,-48.2,;31.36,-49.74,;29.9,-50.24,;28.98,-49,;27.44,-49.01,;29.88,-47.74,;29.17,-46.38,;27.62,-46.31,;26.85,-44.98,;27.61,-43.64,;26.83,-42.31,;25.29,-42.33,;24.53,-43.66,;25.31,-44.99,;38,-45.97,;36.74,-45.08,;37.78,-42.86,;36.96,-41.55,)| | ||
| Structure | 
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