Reaction Details | |||
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Target | Beta-1/Beta-2/Beta-3 adrenergic receptor | ||
Ligand | BDBM50225367 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_38762 (CHEMBL653136) | ||
Kd | 20±n/a nM | ||
Citation | Liptak, A; Kusiak, JW; Pitha, J Alkylating beta-blockers: activity of isomeric bromoacetyl alprenolol menthanes. J Med Chem28:1699-703 (1985) [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: |
| ||
BDBM50225367 | |||
n/a | |||
Name | BDBM50225367 | ||
Synonyms: | Bromoacetyl Alprenolol Menthane | ||
Type | Small organic molecule | ||
Emp. Form. | C24H37BrN2O3 | ||
Mol. Mass. | 481.466 | ||
SMILES | CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C |(13.93,-2.74,;12.84,-3.85,;13.26,-5.32,;14.34,-4.24,;15.41,-3.15,;15.02,-1.65,;16.9,-3.54,;17.3,-5.04,;11.37,-3.44,;10.1,-3.86,;8.48,-3.25,;7.73,-4.59,;7.12,-5.53,;8.9,-4.17,;10.6,-4.79,;7.32,-2.45,;5.78,-2.42,;5.05,-1.07,;5.52,.48,;3.51,-1.04,;2.71,-2.35,;1.17,-2.32,;.36,-3.66,;-1.18,-3.6,;-1.91,-2.26,;-1.09,-.94,;.43,-.97,;1.23,.34,;.49,1.69,;-1.05,1.72,)| | ||
Structure |