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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-1/Beta-2/Beta-3 adrenergic receptor | ||
| Ligand | BDBM50226716 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_38765 (CHEMBL653139) | ||
| Ki | 1.5±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: |
| ||
| BDBM50226716 | |||
| n/a | |||
| Name | BDBM50226716 | ||
| Synonyms: | CHEMBL348176 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H33BrN4O3 | ||
| Mol. Mass. | 505.448 | ||
| SMILES | CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]c(cc12)C#N |(2.48,-10.11,;2.5,-8.58,;2.48,-7.04,;4.04,-8.58,;4.82,-9.89,;4.04,-11.23,;6.35,-9.89,;7.12,-11.23,;.97,-8.58,;-.26,-7.82,;-2.36,-8.12,;-2.89,-6.42,;-4.43,-6.42,;-1.56,-7.19,;.41,-6.89,;-2.89,-4.88,;-4.23,-4.12,;-5.56,-4.91,;-6.9,-4.14,;-5.54,-6.44,;-6.88,-7.21,;-6.86,-8.76,;-8.2,-9.52,;-8.2,-11.06,;-6.86,-11.83,;-5.53,-11.06,;-4.19,-11.83,;-2.84,-11.03,;-2.86,-9.49,;-5.53,-9.52,;-1.46,-11.85,;-.07,-12.65,)| | ||
| Structure | 
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