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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	4-(2-Morpholinyl)pyrocatechol
Molecular formula	C10H13NO3
IUPAC name	4-morpholin-2-ylbenzene-1,2-diol
Molecular weight	195.218
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	0.6
Synonyms	UK-42620 4-Morpholin-2-yl-benzene-1,2-diol 54826-84-5 D0S1GH 1,2-Benzenediol, 4-(2-morpholinyl)- BDBM50000502 Pyrocatechol, 4-(2-morpholinyl)- 3,4-Dioxyphenyl-Morpholin 4-morpholin-2-ylbenzene-1,2-diol CHEMBL7681 AC1MIECG FT-0713241 2-(3,4-Dioxyphenyl)tetrahydro-1,4-oxazin BRN 0170116 SCHEMBL17632965 CTK5A2632 AKOS022644999 LS-136459 2-(3,4-Dioxyphenyl)tetrahydro-1,4-oxazin [German] [ Show all ]
Inchi Key	GYJRRQRGZZEHEB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
PubChem CID	3042920
ChEMBL	CHEMBL7681
IUPHAR	N/A
BindingDB	50000502
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	15000.0 nM	PMID1313109	BindingDB,ChEMBL

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