Reaction Details Report a problem with these data
Target
Beta-1 adrenergic receptor
Ligand
BDBM50465935
Substrate
n/a
Meas. Tech.
ChEMBL_1890395 (CHEMBL4392149)
Ki
7600±n/a nM
Citation
 Martini, ML; Liu, J; Ray, C; Yu, X; Huang, XP; Urs, A; Urs, N; McCorvy, JD; Caron, MG; Roth, BL; Jin, J Defining Structure-Functional Selectivity Relationships (SFSR) for a Class of Non-Catechol Dopamine D J Med Chem 62:3753-3772 (2019) [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:
BDBM50465935
Synonyms:
CHEMBL4277264
Type:
Small organic molecule
Emp. Form.:
C21H16N4O2
Mol. Mass.:
356.3773
SMILES:
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
Structure:
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