Reaction Details | |||
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Target | Beta-1/Beta-2/Beta-3 adrenergic receptor | ||
Ligand | BDBM50226719 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_38764 (CHEMBL653138) | ||
Ki | 1.8±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: |
| ||
BDBM50226719 | |||
n/a | |||
Name | BDBM50226719 | ||
Synonyms: | CHEMBL156754 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H33BrN4O3 | ||
Mol. Mass. | 505.448 | ||
SMILES | CC(C)(NCC(O)COc1cccc2[nH]c(cc12)C#N)C1CCC(C)(CC1)NC(=O)CBr |(-2.34,-8.06,;-2.31,-6.5,;-1.55,-5.13,;-3.88,-6.5,;-5.18,-5.75,;-6.49,-6.5,;-7.79,-5.75,;-6.48,-8,;-7.78,-8.75,;-7.78,-10.27,;-9.06,-11.02,;-9.06,-12.53,;-7.78,-13.28,;-6.48,-12.53,;-5.15,-13.27,;-3.84,-12.5,;-3.85,-11,;-6.48,-11.02,;-2.48,-13.28,;-1.13,-14.06,;-.75,-6.5,;.43,-6.07,;2.16,-6.69,;2.95,-5.35,;4.51,-5.35,;1.66,-5.77,;.01,-5.13,;3.36,-3.83,;4.87,-3.43,;5.97,-4.54,;5.28,-1.93,;6.79,-1.53,)| | ||
Structure |