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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	CHEMBL143944
Molecular formula	C21H24FN3O3S
IUPAC name	7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one
Molecular weight	417.499
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.5
Synonyms	BDBM50086665 7-[2-Hydroxy-3-[4-(4-fluorophenyl)piperazino]propoxy]-3,4-dihydro-2H-1,4-benzothiazine-3-one 7-{3-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-hydroxy-propoxy}-4H-benzo[1,4]thiazin-3-one
Inchi Key	ASDLXXUOHBNMMC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24FN3O3S/c22-15-1-3-16(4-2-15)25-9-7-24(8-10-25)12-17(26)13-28-18-5-6-19-20(11-18)29-14-21(27)23-19/h1-6,11,17,26H,7-10,12-14H2,(H,23,27)
PubChem CID	44361776
ChEMBL	CHEMBL143944
IUPHAR	N/A
BindingDB	50086665
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	<1000.0 nM	PMID10743949	BindingDB,ChEMBL

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