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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-1/Beta-2/Beta-3 adrenergic receptor | ||
| Ligand | BDBM50226717 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_38751 (CHEMBL651858) | ||
| Kd | 1.6±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: |
| ||
| BDBM50226717 | |||
| n/a | |||
| Name | BDBM50226717 | ||
| Synonyms: | (+/-)-Pindobind | CHEMBL157881 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H34BrN3O3 | ||
| Mol. Mass. | 480.438 | ||
| SMILES | CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1cccc2[nH]ccc12 |(2.66,-6.58,;2.67,-5.04,;2.66,-3.5,;4.21,-5.04,;4.98,-6.36,;4.21,-7.7,;6.52,-6.36,;7.29,-7.7,;1.13,-5.04,;-.1,-4.28,;-2.18,-4.57,;-2.72,-2.89,;-4.26,-2.89,;-1.4,-3.66,;.59,-3.34,;-2.72,-1.35,;-4.06,-.56,;-5.39,-1.36,;-6.73,-.59,;-5.38,-2.9,;-6.73,-3.67,;-6.71,-5.21,;-8.04,-5.98,;-8.04,-7.52,;-6.71,-8.29,;-5.38,-7.52,;-4.03,-8.29,;-2.68,-7.51,;-2.68,-5.95,;-5.38,-5.98,)| | ||
| Structure | 
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