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Name | Beta-1 adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRB1 |
Synonym | Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR [ Show all ] |
Disease | Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease [ Show all ] |
Length | 477 |
Amino acid sequence | MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV |
UniProt | P08588 |
Protein Data Bank | N/A |
GPCR-HGmod model | P08588 |
3D structure model | This predicted structure model is from GPCR-EXP P08588. |
BioLiP | N/A |
Therapeutic Target Database | T44068 |
ChEMBL | CHEMBL213 |
IUPHAR | 28 |
DrugBank | BE0000172 |
Name | CHEMBL252319 |
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Molecular formula | C13H21NO2 |
IUPAC name | (2S)-1-(3-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol |
Molecular weight | 223.316 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 1.9 |
Synonyms | SCHEMBL79268 (S)-Toliprolol (S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol UNII-DCP58J201D component NXQMNKUGGYNLBY-LBPRGKRZSA-N (S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol ((2S)-toliprolol) [ Show all ] |
Inchi Key | NXQMNKUGGYNLBY-LBPRGKRZSA-N |
Inchi ID | InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1 |
PubChem CID | 12179890 |
ChEMBL | CHEMBL252319 |
IUPHAR | N/A |
BindingDB | 50241366 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kd | 0.38 nM | PMID18656910 | ChEMBL |
Kd | 0.38 nM | PMID18656910 | BindingDB |
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