Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Neuronal acetylcholine receptor subunit alpha-3/beta-2 | ||
Ligand | BDBM50366779 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_143559 (CHEMBL755331) | ||
Ki | 2.3±n/a nM | ||
Citation | Xu, R; Dwoskin, LP; Grinevich, VP; Deaciuc, G; Crooks, PA Neuronal nicotinic acetylcholine receptor binding affinities of boron-containing nicotine analogues. Bioorg Med Chem Lett11:1245-8 (2001) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Neuronal acetylcholine receptor subunit alpha-3/beta-2 | |||
Name: | Neuronal acetylcholine receptor subunit alpha-3/beta-2 | ||
Synonyms: | Neuronal acetylcholine receptor Alpha-3/Beta-2 | Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit | Neuronal acetylcholine receptor; alpha3/beta2 | nAChR subtypes alpha3 beta2 | ||
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-2 | ||
Synonyms: | ACHB2_RAT | Acrb2 | Chrnb2 | N-alpha 1 | Neuronal acetylcholine receptor non-alpha-1 chain | ||
Type: | Enzyme | ||
Mol. Mass.: | 56910.32 | ||
Organism: | Rattus norvegicus (Rat) | ||
Description: | P12390 | ||
Residue: | 500 | ||
Sequence: |
| ||
BDBM50366779 | |||
n/a | |||
Name | BDBM50366779 | ||
Synonyms: | METHYLLYCACONITINE | ||
Type | Small organic molecule | ||
Emp. Form. | C37H50N2O10 | ||
Mol. Mass. | 682.8003 | ||
SMILES | CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| | ||
Structure |