Reaction Details | |||
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Target | Neuronal acetylcholine receptor subunit alpha-4/beta-2 | ||
Ligand | BDBM50393247 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_877366 (CHEMBL2182411) | ||
Ki | 1700±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: |
| ||
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: |
| ||
BDBM50393247 | |||
n/a | |||
Name | BDBM50393247 | ||
Synonyms: | CHEMBL1258006 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H23N3O2 | ||
Mol. Mass. | 361.4369 | ||
SMILES | O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)| | ||
Structure |