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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-1/Beta-2/Beta-3 adrenergic receptor | ||
| Ligand | BDBM50226718 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_38764 (CHEMBL653138) | ||
| Ki | 23±n/a nM | ||
| Citation |  Pitha, J; Buchowiecki, W; Milecki, J; Kusiak, JW Affinity labels for beta-adrenoceptors: preparation and properties of alkylating beta-blockers derived from indole. J Med Chem30:612-5 (1987) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Beta-1/Beta-2/Beta-3 adrenergic receptor | |||
| Name: | Beta-1/Beta-2/Beta-3 adrenergic receptor | ||
| Synonyms: | Adrenergic receptor beta | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 1340543 | ||
| Components: | This complex has 3 components. | ||
| Component 1 | |||
| Name: | Beta-1 adrenergic receptor | ||
| Synonyms: | ADRB1R, B1AR | ADRB1_RAT | Adrb1 | Adrb1r | Adrenergic receptor beta | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1 | adrenergic Beta1,2 | ||
| Type: | Protein | ||
| Mol. Mass.: | 50486.84 | ||
| Organism: | Rattus norvegicus (Rat) | ||
| Description: | P18090 | ||
| Residue: | 466 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Beta-2 adrenergic receptor | ||
| Synonyms: | ADRB2_RAT | Adrb2 | Adrb2r | Adrenergic receptor beta | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 46896.26 | ||
| Organism: | Rattus norvegicus | ||
| Description: | ChEMBL_38603 | ||
| Residue: | 418 | ||
| Sequence: |
| ||
| Component 3 | |||
| Name: | Beta-3 adrenergic receptor | ||
| Synonyms: | ADRB3_RAT | Adrb3 | Adrb3r | Adrenergic receptor beta | Beta-3 adrenergic receptor | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 43161.83 | ||
| Organism: | Rattus norvegicus | ||
| Description: | ChEMBL_1509452 | ||
| Residue: | 400 | ||
| Sequence: |
| ||
| BDBM50226718 | |||
| n/a | |||
| Name | BDBM50226718 | ||
| Synonyms: | CHEMBL156628 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H34BrN3O3 | ||
| Mol. Mass. | 480.438 | ||
| SMILES | CC(C)(NCC(O)COc1cccc2[nH]ccc12)C1CCC(C)(CC1)NC(=O)CBr |(-2.37,-8.18,;-2.35,-6.59,;-1.58,-5.2,;-3.94,-6.59,;-5.26,-5.83,;-6.58,-6.59,;-7.91,-5.83,;-6.57,-8.12,;-7.9,-8.88,;-7.9,-10.42,;-9.2,-11.18,;-9.2,-12.71,;-7.9,-13.47,;-6.57,-12.71,;-5.23,-13.46,;-3.89,-12.68,;-3.9,-11.16,;-6.57,-11.18,;-.76,-6.59,;.44,-6.16,;2.19,-6.79,;2.99,-5.43,;4.58,-5.43,;1.69,-5.86,;.01,-5.2,;3.41,-3.88,;4.94,-3.48,;6.05,-4.61,;5.36,-1.96,;6.89,-1.55,)| | ||
| Structure | 
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