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Target
Beta-1 adrenergic receptor
Ligand
BDBM50338816
Substrate
n/a
Meas. Tech.
ChEMBL_727080 (CHEMBL1687004)
IC50
1780±n/a nM
Citation
 Morriello, GJ; Wendt, HR; Bansal, A; Di Salvo, J; Feighner, S; He, J; Hurley, AL; Hreniuk, DL; Salituro, GM; Reddy, MV; Galloway, SM; McGettigan, KK; Laws, G; McKnight, C; Doss, GA; Tsou, NN; Black, RM; Morris, J; Ball, RG; Sanfiz, AT; Streckfuss, E; Struthers, M; Edmondson, SD Design of a novel pyrrolidine scaffold utilized in the discovery of potent and selective humanß3 adrenergic receptor agonists. Bioorg Med Chem Lett 21:1865-70 (2011) [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:
BDBM50338816
Synonyms:
CHEMBL1684580 | N-(4-(((5S)-5-((S)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C34H30F3N3O3S2
Mol. Mass.:
649.746
SMILES:
O[C@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r|
Structure:
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