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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	Dichloroisoproterenol
Molecular formula	C11H15Cl2NO
IUPAC name	1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol
Molecular weight	248.147
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.3
Synonyms	PDSP1_000154 1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol(Di chloroisoproterenol) 3,4-Dichloro-alpha-(((1-methylethyl)amino)methyl)benzenemethanol beta-Hydroxy-N-isopropyl-3,4-dichlorophenethylamine Dichlorisoproterenol VKMGSWIFEHZQRS-UHFFFAOYSA- 1-(3,4-Dichlorophenyl)-2-isopropylaminoethanol 59-61-0 CHEMBL30816 Dichloroisoproterenol,(+/-) MCULE-5460536983 1 (3,4 dichlorophenyl) 2 isopropylaminoethanol 3,4-Dichlor-isoproterenol BDBM50036835 Dichlorisoprenaline PDSP2_000153 1-(3,4-Dichlorophenyl)-2-(isopropylamino)ethanol 3,4-Dichloro-alpha-(isopropylaminomethyl)benzyl alcohol BRN 2807251 Dichloroisoprenaline InChI=1/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3 VKMGSWIFEHZQRS-UHFFFAOYSA-N 2-isopropylamino-1-(3,4-dichlorophenyl)-ethanol AC1L1L6H D0XX5S N-(beta-(3,4-Dichlorophenyl)-beta-hydroxyethyl)isopropylamine 1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol 3,4-Dichlor-isoproterenol [German] BENZYL ALCOHOL, 3,4-DICHLORO-alpha-((ISOPROPYLAMINO)METHYL)- Dichlorisoprenaline [German] SCHEMBL613952 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol LS-42815 2-isopropylamino-1-(3,4-dichlorophenyl)ethanol AKOS009157165 DB12803 [ Show all ]
Inchi Key	VKMGSWIFEHZQRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
PubChem CID	5806
ChEMBL	CHEMBL30816
IUPHAR	N/A
BindingDB	50036835
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	51.0 nM	PMID7910217	BindingDB,ChEMBL

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