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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.
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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	CHEMBL43711
Molecular formula	C9H12FNO3
IUPAC name	3-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular weight	201.197
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	0.0
Synonyms	115562-24-8 3-Fluoro-4-[1-hydroxy-2-(methylamino)ethyl]pyrocatechol SCHEMBL9768011 (+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol BDBM50019059 3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol CTK8G6210 1,2-benzenediol,3-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]- 3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol(2-FEPI) KB-148840 AKOS027395535 [ Show all ]
Inchi Key	HGZKLMFEVVYGMO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
PubChem CID	10420352
ChEMBL	CHEMBL43711
IUPHAR	N/A
BindingDB	50019059
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	1800.0 nM	PMID10780918, PMID8254623	BindingDB,ChEMBL

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