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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 | CHEMBL604333 |
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Molecular formula | C21H23F3N2O4 |
IUPAC name | 6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one |
Molecular weight | 424.42 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 2.7 |
Synonyms | BDBM50306807 rac-6-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 8-{2-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamino]-1-hydroxy-ethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one SCHEMBL1720822 AOBQGHZAKUAZSB-UHFFFAOYSA-N |
Inchi Key | AOBQGHZAKUAZSB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(6-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29) |
PubChem CID | 46232856 |
ChEMBL | CHEMBL604333 |
IUPHAR | N/A |
BindingDB | 50306807 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 436.5 nM | PMID20096576 | ChEMBL |
EC50 | 437.0 nM | PMID20096576 | BindingDB |
Intrinsic activity | 13.0 % | PMID20096576 | ChEMBL |
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