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Target
Beta-1 adrenergic receptor
Ligand
BDBM50214242
Substrate
n/a
Meas. Tech.
ChEMBL_456293 (CHEMBL888304)
Ki
270±n/a nM
Citation
 Washburn, WN; Harper, TW; Wu, G; Godfrey, JD; McCann, P; Girotra, R; Shao, C; Zhang, H; Gavai, A; Mikkilineni, A; Dejneka, T; Ahmed, S; Caringal, Y; Hangeland, J; Zhang, M; Cheng, PT; Russell, AD; Skwish, S; Slusarchyk, DA; Allen, GT; Frohlich, BH; Abboa-Offei, BE; Cap, M; Waldron, TL; George, RJ; Tesfamariam, B; Dickinson, KE; Seymour, AA; Sher, PM Arylpropanolamines: selective beta3 agonists arising from strategies to mitigate phase I metabolic transformations. Bioorg Med Chem Lett 17:4290-6 (2007) [PubMed]  Article 
Target
Name:
Beta-1 adrenergic receptor
Synonyms:
ADRB1 | ADRB1R | ADRB1_HUMAN | B1AR | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
51338.40
Organism:
Homo sapiens (Human)
Description:
P08588
Residue:
477
Sequence:
MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
  
Inhibitor
Name:
BDBM50214242
Synonyms:
CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)propylamino)-2-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C27H33ClN2O6S
Mol. Mass.:
549.079
SMILES:
COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Structure:
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