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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	Sus scrofa (Pig)
Gene	ADRB1
Synonym	Beta-1 adrenoceptor Beta-1 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	468
Amino acid sequence	MGAGALALGASEPCNLSSAAPLPDGAATAARLLVPASPPASLLTPASEGSVQLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRAARALVCTVWAISALVSFLPILMHWWRDKGAEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGSPARPPSPAPSPGSPLPAAAAAAPVANGRTSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRVARGSCAAAGDGPRASGCLAVARPPPSPGAASDDDDDEEDVGAAPPAPLLEPWAGYNGGAARDSDSSLDERTPGGRASESKV
UniProt	Q28998
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	CHEMBL4351
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2443001
Molecular formula	C22H34FN5O4
IUPAC name	1-[[1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight	451.543
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	1.0
Synonyms	BDBM50442755
Inchi Key	WTAVHOMZPZTGNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H34FN5O4/c1-29-22-5-3-2-4-21(22)27-9-7-26(8-10-27)18-20-19-28(25-24-20)11-13-31-15-17-32-16-14-30-12-6-23/h2-5,19H,6-18H2,1H3
PubChem CID	72545008
ChEMBL	CHEMBL2443001
IUPHAR	N/A
BindingDB	50442755
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	1300.0 nM	PMID24100078	BindingDB,ChEMBL

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