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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 | CHEMBL162200 |
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Molecular formula | C20H26N4O3S |
IUPAC name | 4-[methyl(methylsulfonyl)amino]-N-[(4-phenylpiperazin-2-yl)methyl]benzamide |
Molecular weight | 402.513 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.6 |
Synonyms | SCHEMBL9593703 BDBM50001910 N-[4-(Phenyl)-2-piperazinylmethyl]-4-(N-methyl-N-methylsulfonylamino)benzamide 4-(Methanesulfonyl-methyl-amino)-N-(4-phenyl-piperazin-2-ylmethyl)-benzamide |
Inchi Key | KYAHCCSGINNXKL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H26N4O3S/c1-23(28(2,26)27)18-10-8-16(9-11-18)20(25)22-14-17-15-24(13-12-21-17)19-6-4-3-5-7-19/h3-11,17,21H,12-15H2,1-2H3,(H,22,25) |
PubChem CID | 14998855 |
ChEMBL | CHEMBL162200 |
IUPHAR | N/A |
BindingDB | 50001910 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 1100.0 nM | PMID1347318 | BindingDB,ChEMBL |
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