Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50526686
Substrate
n/a
Meas. Tech.
ChEMBL_1900545 (CHEMBL4402767)
Ki
29±n/a nM
Citation
 Schwalbe, T; Huebner, H; Gmeiner, P Development of covalent antagonists for ?1- and ?2-adrenergic receptors. Bioorg Med Chem 27:2959-2971 (2019) [PubMed]  Article 
Target
Name:
Beta-1 adrenergic receptor
Synonyms:
ADRB1_MOUSE | Adrb1 | Adrb1r | Beta-1 adrenergic recepto | Beta-1 adrenergic receptor | Beta-1 adrenoceptor | Beta-1 adrenoreceptor
Type:
PROTEIN
Mol. Mass.:
50507.75
Organism:
Mus musculus
Description:
ChEMBL_105090
Residue:
466
Sequence:
MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPEPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGTTPPARLLEPWTGCNGGTTTVDSDSSLDEPGRQGFSSESKV
  
Inhibitor
Name:
BDBM50526686
Synonyms:
CHEMBL4463246
Type:
Small organic molecule
Emp. Form.:
C26H34N2O4S2
Mol. Mass.:
502.689
SMILES:
COc1cc(CCNC[C@@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN |r|
Structure:
Search PDB for entries with ligand similarity: