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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	(S)-Metoprolol
Molecular formula	C15H25NO3
IUPAC name	(2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight	267.369
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	l-Metoprolol (S)-1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol 91324-86-6 C-23812 CTK8C4817 SCHEMBL121589 (-)-Metoprolol 1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol AJ-26685 IUBSYMUCCVWXPE-AWEZNQCLSA-N ZINC1530717 (2S)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol 81024-42-2 API0005937 MCULE-4106696689 AC1L4IJQ DTXSID60230861 TC-161973 (-)metoprolol 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (2S)- AKOS016008513 KB-210701 (S)-(-)-Metoprolol BDBM81881 CHEMBL148306 s-metoprolol (S)-Metoprorol AE-562/11525411 FT-0672383 UNII-GEB06NHM23 component IUBSYMUCCVWXPE-AWEZNQCLSA-N (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol 2587AC ANW-73228 [ Show all ]
Inchi Key	IUBSYMUCCVWXPE-AWEZNQCLSA-N
Inchi ID	InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m0/s1
PubChem CID	157716
ChEMBL	CHEMBL148306
IUPHAR	N/A
BindingDB	81881
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	13.8 nM	PMID1968985	BindingDB

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