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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Beta-1 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb1
Synonym	adrenergic receptor beta1-adrenoceptor Beta-1 adrenoreceptor Beta-1 adrenoceptor beta-1 adrenergic receptor ADRB1R beta 1-AR B1AR Adrenergic receptor beta 1 Adrb-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
UniProt	P18090
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3252
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CGP 20712A
Molecular formula	C23H25F3N4O5
IUPAC name	2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide
Molecular weight	494.471
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	2.3
Synonyms	C23H25F3N4O5 CGP-20712A D03JHA NCGC00024944-03 1-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-phenoxy]-2-propanol 2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide AC1Q5J4R CGP 20712-A CHEBI:91628 GTPL541 PDSP1_000801 (+/-)-2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)-1h-imidazol-2-yl]phenoxy]propyl]amino]ethoxy]-benzamide 2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy}propyl)amino]ethoxy}benzamide; methanesulfonic acid Benzamide, 2-hydroxy-5-(2-((2-hydroxy-3-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)phenoxy)propyl)amino)ethoxy)- CGP-20712 cid_2685 LS-177601 SR-01000076208 1-[2-(3 -carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-phenoxy]-2-propanol 137888-49-4 81015-67-0 CCG-204459 CGP-26505 D0J2CR NCGC00024944-04 2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide AKOS032953953 L000167 PDSP2_000788 BRD-A31575449-300-01-4 Cgp-20712-A CTK5E8392 NCGC00024944-02 SR-01000076208-7 1-[2-(3-carbamoyl-4-hydroxyphenoxy)-ethylamino]-3-[4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)-phenoxy]-2-propanol 2-Hydroxy-5-(2-(hydroxy-3-(4-((1-methyl-4-trifluoromethyl)-1H-imidazol-2-yl)phenoxy)propyl)aminoethoxy)benzamide AC1L1E8E Cgp 20712 CGP20712A GKJZEKSHCJELPL-UHFFFAOYSA-N PDSP1_000800 2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifluoromethyl)-1h-imidazol-2-yl]phenoxy}propyl)amino]ethoxy}benzamide BDBM25746 Cgp 26505 CHEMBL280822 Lopac0_000364 SCHEMBL10914264 1-(2-((3-carbamoyl-4-hydroxy)phenoxy)ethylamino)-3-(4-(1-methyl-4-trifluoromethyl-2-imidazoylyl)phenoxy)-2-propanol methanesulfonate [ Show all ]
Inchi Key	GKJZEKSHCJELPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
PubChem CID	2685
ChEMBL	CHEMBL280822
IUPHAR	541
BindingDB	25746
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.259 nM	PMID16759089	ChEMBL
Ki	1.995 nM	PMID16759089	ChEMBL
Ki	7.943 nM	PMID16759089	ChEMBL
Ki	794.33 nM	PMID16759089	ChEMBL
Ki	10000.0 nM	PMID16759089	ChEMBL

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