Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50213112
Substrate
n/a
Meas. Tech.
ChEMBL_436826 (CHEMBL905128)
Ki
31300±n/a nM
Citation
 Jozwiak, K; Khalid, C; Tanga, MJ; Berzetei-Gurske, I; Jimenez, L; Kozocas, JA; Woo, A; Zhu, W; Xiao, RP; Abernethy, DR; Wainer, IW Comparative molecular field analysis of the binding of the stereoisomers of fenoterol and fenoterol derivatives to the beta2 adrenergic receptor. J Med Chem 50:2903-15 (2007) [PubMed]  Article 
Target
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:
MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
  
Inhibitor
Name:
BDBM50213112
Synonyms:
(R,S)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylamino]-1-hydroxyethyl}-1,3-benzenediol | CHEMBL229388 | US10617654, Compound (R,S)-3 | US9492405, (R,S)-3 | US9492405, 10
Type:
Small organic molecule
Emp. Form.:
C17H21NO3
Mol. Mass.:
287.3535
SMILES:
C[C@@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
Structure:
Search PDB for entries with ligand similarity: