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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 | VIBEGRON |
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Molecular formula | C26H28N4O3 |
IUPAC name | (6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide |
Molecular weight | 444.535 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 3 |
XlogP | 1.8 |
Synonyms | (6S)-N-(4-(((2S,5R)-5-((R)-Hydroxyphenylmethyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidine-6-carboxamide MK-4618 Vibegron [USAN:INN] D10433 SB16922 [ Show all ] |
Inchi Key | DJXRIQMCROIRCZ-XOEOCAAJSA-N |
Inchi ID | InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1 |
PubChem CID | 44472635 |
ChEMBL | CHEMBL2107826 |
IUPHAR | N/A |
BindingDB | 50146154 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <20000.0 nM | PMID26709102 | BindingDB,ChEMBL |
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