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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	CHEMBL268881
Molecular formula	C13H19NO3
IUPAC name	4-(4-propan-2-ylmorpholin-2-yl)benzene-1,2-diol
Molecular weight	237.299
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	AC1Q7ACF 4-(4-Isopropyl-morpholin-2-yl)-benzene-1,2-diol NCI60_006589 1,2-benzenediol, 4-[4-(1-methylethyl)-2-morpholinyl]- AKOS022660109 4-(4-isopropylmorpholin-2-yl)benzene-1,2-diol AC1L7GLH NSC622468 4-(4-Isopropyl-2-morpholinyl)-1,2-benzenediol hydrochloride BDBM50000499 4-(4-propan-2-ylmorpholin-2-yl)benzene-1,2-diol D06QKD [ Show all ]
Inchi Key	SUYJAACXNVNFGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H19NO3/c1-9(2)14-5-6-17-13(8-14)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3
PubChem CID	360400
ChEMBL	CHEMBL268881
IUPHAR	N/A
BindingDB	50000499
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	48000.0 nM	PMID1313109	BindingDB,ChEMBL

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