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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-1/Beta-2/Beta-3 adrenergic receptor | ||
| Ligand | BDBM50225368 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_38765 (CHEMBL653139) | ||
| Ki | 20±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: |
| ||
| BDBM50225368 | |||
| n/a | |||
| Name | BDBM50225368 | ||
| Synonyms: | CHEMBL47370 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H37BrN2O3 | ||
| Mol. Mass. | 481.466 | ||
| SMILES | CC(C)(NCC(O)COc1ccccc1CC=C)C1CCC(C)(CC1)NC(=O)CBr |(7.44,-1.49,;8.18,-2.83,;9.25,-3.91,;7.38,-4.15,;5.84,-4.12,;5.1,-2.77,;5.56,-1.2,;3.56,-2.73,;2.76,-4.04,;1.22,-4.01,;.42,-5.34,;-1.12,-5.3,;-1.86,-3.95,;-1.05,-2.63,;.48,-2.66,;1.28,-1.35,;.55,,;-.99,.03,;8.76,-1.38,;9.72,-2.87,;11.65,-2.03,;13.03,-2.45,;14.37,-1.67,;12.07,-.94,;10.24,-1.77,;14.12,-3.53,;15.54,-2.64,;15.46,-1.2,;16.74,-3.35,;17.94,-2.64,)| | ||
| Structure | 
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