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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor | ||
| Ligand | BDBM392076 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_1711419 | ||
| IC50 | 0.250000±n/a nM | ||
| Citation |  Gege, C; Cummings, MD; Albers, M; Kinzel, O; Kleymann, G; Schlüter, T; Steeneck, C; Nelen, MI; Milligan, C; Spurlino, J; Xue, X; Leonard, K; Edwards, JP; Fourie, A; Goldberg, SD; Hoffmann, T Identification and biological evaluation of thiazole-based inverse agonists of ROR?t. Bioorg Med Chem Lett28:1446-1455 (2018) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor | |||
| Name: | Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor | ||
| Synonyms: | Adrenergic receptor alpha-1 | Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor | alpha-1 Adrenergic Receptor | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of EBI is 303470 | ||
| Components: | This complex has 3 components. | ||
| Component 1 | |||
| Name: | Alpha-1B adrenergic receptor | ||
| Synonyms: | ADA1B_RAT | Adra1b | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha adrenergic receptor 1A and 1B | Alpha-1 Adrenergic Receptor | Alpha-1Adrenoceptor | Alpha-1B adrenergic receptor | Alpha-1B adrenoreceptor | adrenergic Alpha1B | ||
| Type: | G Protein-Coupled Receptor (GPCR) | ||
| Mol. Mass.: | 56606.71 | ||
| Organism: | Rattus norvegicus (rat) | ||
| Description: | Receptor binding assays were performed using rat cortical membranes. | ||
| Residue: | 515 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Alpha-1A adrenergic receptor | ||
| Synonyms: | ADA1A_RAT | Adra1a | Adra1c | Alpha-1 adrenoreceptor | Alpha-1A adrenoceptor | Alpha-1A adrenoreceptor | Alpha-1C adrenergic receptor | adrenergic Alpha1A | ||
| Type: | Protein | ||
| Mol. Mass.: | 51620.15 | ||
| Organism: | Rattus norvegicus (Rat) | ||
| Description: | P43140 | ||
| Residue: | 466 | ||
| Sequence: |
| ||
| Component 3 | |||
| Name: | Alpha-1D adrenergic receptor | ||
| Synonyms: | ADA1D_RAT | Adra1a | Adra1d | Alpha adrenergic receptor 1A and 1D | Alpha-1D adrenergic receptor | Serotonin 1a (5-HT1a) receptor/Adrenergic receptor alpha-1 | ||
| Type: | Protein | ||
| Mol. Mass.: | 59375.97 | ||
| Organism: | Rattus norvegicus (Rat) | ||
| Description: | P23944 | ||
| Residue: | 561 | ||
| Sequence: |
| ||
| BDBM392076 | |||
| n/a | |||
| Name | BDBM392076 | ||
| Synonyms: | US10301272, Example 7/9 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H37N3O5S2 | ||
| Mol. Mass. | 583.762 | ||
| SMILES | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)| | ||
| Structure | 
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