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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Neuronal acetylcholine receptor subunit alpha-4/beta-2 | ||
| Ligand | BDBM50399772 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_877366 (CHEMBL2182411) | ||
| Ki | 830±n/a nM | ||
| Citation |  Mazurov, AA; Kombo, DC; Hauser, TA; Miao, L; Dull, G; Genus, JF; Fedorov, NB; Benson, L; Sidach, S; Xiao, Y; Hammond, PS; James, JW; Miller, CH; Yohannes, D Discovery of (2S,3R)-N-[2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a selectivea7 nicotinic acetylcholine receptor agonist, for the treatment of cognitive disorders. J Med Chem55:9793-809 (2012) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Neuronal acetylcholine receptor subunit alpha-4/beta-2 | |||
| Name: | Neuronal acetylcholine receptor subunit alpha-4/beta-2 | ||
| Synonyms: | Neuronal acetylcholine receptor Alpha-4/Beta-2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | Neuronal acetylcholine receptor; alpha4/beta2 | nAChR subtypes alpha4 beta2 | ||
| Type: | Protein | ||
| Mol. Mass.: | n/a | ||
| Description: | n/a | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Neuronal acetylcholine receptor subunit alpha-4 | ||
| Synonyms: | ACHA4_HUMAN | CHRNA4 | CHRNA4 protein | NACRA4 | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | ||
| Type: | n/a | ||
| Mol. Mass.: | 69963.49 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | NACHRA4 | ||
| Residue: | 627 | ||
| Sequence: |
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| Component 2 | |||
| Name: | Neuronal acetylcholine receptor subunit beta-2 | ||
| Synonyms: | ACHB2_HUMAN | CHRNB2 | Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5 | ||
| Type: | Protein | ||
| Mol. Mass.: | 57020.50 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P17787 | ||
| Residue: | 502 | ||
| Sequence: |
| ||
| BDBM50399772 | |||
| n/a | |||
| Name | BDBM50399772 | ||
| Synonyms: | CHEMBL2179882 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H25N3O3 | ||
| Mol. Mass. | 391.4629 | ||
| SMILES | COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(11.42,-6.5,;12.06,-5.09,;11.16,-3.84,;11.8,-2.44,;10.9,-1.19,;9.38,-1.35,;8.75,-2.74,;7.28,-3.21,;7.28,-4.75,;8.74,-5.23,;9.64,-3.99,;6.12,-5.78,;6.12,-7.32,;4.79,-5,;3.45,-5.77,;2.12,-4.99,;.79,-5.77,;.79,-7.31,;2.12,-8.08,;1.33,-6.74,;2.71,-6.24,;3.45,-7.31,;4.79,-8.09,;4.78,-9.63,;3.44,-10.4,;3.44,-11.94,;4.78,-12.71,;6.12,-11.93,;6.12,-10.4,)| | ||
| Structure | 
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