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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 | CHEMBL163587 |
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Molecular formula | C20H26N4O4S |
IUPAC name | 4-(methanesulfonamido)-N-[[4-(3-methoxyphenyl)piperazin-2-yl]methyl]benzamide |
Molecular weight | 418.512 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 1.4 |
Synonyms | SCHEMBL9593979 BDBM50001905 N-[4-(3-Methoxyphenyl)-2-piperazinylmethyl]-4-(methylsulfonylamino)benzamide 4-Methanesulfonylamino-N-[4-(3-methoxy-phenyl)-piperazin-2-ylmethyl]-benzamide |
Inchi Key | HTUZPHQYHWKKIZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H26N4O4S/c1-28-19-5-3-4-18(12-19)24-11-10-21-17(14-24)13-22-20(25)15-6-8-16(9-7-15)23-29(2,26)27/h3-9,12,17,21,23H,10-11,13-14H2,1-2H3,(H,22,25) |
PubChem CID | 14998849 |
ChEMBL | CHEMBL163587 |
IUPHAR | N/A |
BindingDB | 50001905 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1700.0 nM | PMID1347318 | BindingDB,ChEMBL |
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