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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Neuronal acetylcholine receptor subunit alpha-3/beta-4 | ||
| Ligand | BDBM50446502 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1287913 (CHEMBL3112332) | ||
| Ki | 33353±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: |
| ||
| BDBM50446502 | |||
| n/a | |||
| Name | BDBM50446502 | ||
| Synonyms: | CHEMBL3110050 | ||
| 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,wD:24.24,10.10,t:27,(39.51,-3.57,;38.79,-4.93,;37.25,-4.99,;38.01,-3.59,;39.62,-6.23,;41.15,-6.18,;41.97,-7.47,;41.25,-8.83,;42.07,-10.13,;41.4,-11.52,;42.33,-12.75,;43.87,-12.72,;44.66,-14.04,;43.91,-15.38,;44.69,-16.7,;46.23,-16.68,;46.99,-15.34,;46.2,-14.01,;41.44,-14.01,;39.97,-13.55,;38.62,-14.31,;37.3,-13.53,;35.96,-14.29,;34.63,-13.5,;33.29,-14.26,;33.3,-15.8,;31.84,-16.29,;30.92,-15.04,;29.38,-15.06,;31.82,-13.79,;31.11,-12.42,;29.56,-12.35,;28.79,-11.02,;29.55,-9.69,;28.77,-8.36,;27.23,-8.37,;26.46,-9.71,;27.25,-11.03,;39.94,-12.01,;38.68,-11.12,;39.72,-8.9,;38.9,-7.6,)| | ||
| Structure | 
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