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GLASS

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GPCR

Name	Beta-1 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB1
Synonym	Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR beta1-adrenoceptor beta-1 adrenoreceptor Beta-1 adrenoceptor B1AR beta-1 adrenergic receptor [ Show all ]
Disease	Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease Circulatory disorders Chronic open-angle glaucoma; Ocular hypertension Chronic open-angle glaucoma High blood pressure High blood pressure; Angina Hypertension Septic shock; Neurogenic shock Open-angle glaucoma; Ocular hypertension Migraine Maintenance of normal sinus rhythm Hypertension; Ventricular premature beats Hypertension; Heart arrhythmia Hypertension; Angina pectoris Hypertension; Angina Ventricular fibrillation Central and peripheral nervous diseases Acute supraventricular tachycardia Open-angle glaucoma Allergy; Sepsis Angina pectoris Angina pectoris; Hypertension Bronchodilator Cardiac arrhythmias [ Show all ]
Length	477
Amino acid sequence	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProt	P08588
Protein Data Bank	N/A
GPCR-HGmod model	P08588
3D structure model	This predicted structure model is from GPCR-EXP P08588.
BioLiP	N/A
Therapeutic Target Database	T44068
ChEMBL	CHEMBL213
IUPHAR	28
DrugBank	BE0000172

Ligand

Name	Prenalterol
Molecular formula	C12H19NO3
IUPAC name	4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
Molecular weight	225.288
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	1.4
Synonyms	(S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenol AJ-24264 CC-33915 GTPL537 M4G34404CX SCHEMBL249753 4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenol 61260-05-7 (hydrochloride) AX8149043 H-80-62 (-)-Prenalterol 4-{[(2s)-2-hydroxy-3-(isopropylamino)propyl]oxy}phenol AC1Q579K C-12776 EINECS 260-791-5 KWD-2033 Prenalterolum [INN-Latin] (S)-4-(2-Hydroxy-3-(isopropylamino)propoxy)phenol 57526-81-5 AKOS016014110 CGP 7760B H 133/22 PHENOL METABOLITE UNII-M4G34404CX 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol A-Ba-C-50,005 BDBM50421716 CHEMBL1160714 Hyprenan Prenalterol [INN:BAN] (S)-1-(4-hydroxyphenoxy)-3-(1-methylethyl)amino-2-propanol ADUKCCWBEDSMEB-NSHDSACASA-N C07533 FT-0630699 LS-104700 S-Varbian (S)-Prenalterol 58165-86-9 API0006933 CHEBI:8391 H-133-22 Phenol, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)- ZINC897007 4-[(2S)-2-Hydroxy-3-[(1-methylethyl)amino]propoxy]phenol AC1L27QA BRN 5740338 D0JK0I KB-211509 Prenalterolum [ Show all ]
Inchi Key	ADUKCCWBEDSMEB-NSHDSACASA-N
Inchi ID	InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1
PubChem CID	42396
ChEMBL	CHEMBL1160714
IUPHAR	537
BindingDB	50421716
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inotropic effect	34.0 -	PMID3027335	ChEMBL
Inotropic effect	35.0 -	PMID3027335	ChEMBL
KA	0.025 uM kg-1	PMID6104731	ChEMBL
Ki	251.189 nM	PMID10531390, PMID2564629	IUPHAR

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