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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	oxprenolol
Molecular formula	C15H23NO3
IUPAC name	1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol
Molecular weight	265.353
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.1
Synonyms	Slow-Pren (TN) 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)-2-propanol Trasicor 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]- AB00514712 C15H23NO3 Coretal dl-Alprenolol L013416 Prestwick0_001057 1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol 1-(2-Allyloxy-phenoxy)-3-isopropylamino-propan-2-ol(oxprenolol) Tevacor 1-[2-(Allyloxy)phenoxy]-3-(isopropylamino)-2-propanol Trasicor 80 22972-98-1 AKOS030627168 CEMAWMOMDPGJMB-UHFFFAOYSA-N CTK5J5288 EINECS 229-257-9 Laracor (TN) Oxprenolol Ba 39089 (hydrochloride) (+)-1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol Prestwick3_001057 Slow-pren 1-(Isopropylamino)-2-hydroxy-3-(o-(allyloxy)phenoxy)propane Trasacor (hydrochloride) 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyloxy)phenoxy)- {2-hydroxy-3-[2-(prop-2-en-1-yloxy)phenoxy]propyl}(propan-2-yl)amine 6452-73-9 (HYDROCHLORIDE) BRD-A43671941-003-03-6 CHEMBL546 GTPL7255 Osprenololo Oxprenololum (1)-1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)propan-2-ol 1-(2-Allyloxy-phenoxy)-3-isopropylamino-propan-2-ol Slow-Trasicor (TN) 1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol Trasicor (hydrochloride) 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-, (+/-) AB00514712_07 Captol (TN) Coretal (hydrochloride) dl-Oxprenolol Laracor Oxprenolol (INN) Prestwick1_001057 1-(2-allyloxyphenoxy)-3-(iso-propylamino)-2-propanol Tevacor (TN) 1-[2-(Allyloxy)phenoxy]-3-(isopropylamino)-2-propanol # Trasidex (TN) BDBM50240370 CHEBI:91704 D08318 EINECS 245-357-5 LS-121642 Oxprenolol [INN:BAN] (+)-1-[(1-Methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-2-propanol SCHEMBL16310 Slow-Pren (hydrochloride) 1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)-2-propanol Trasacor (TN) 2-Propanol, 1-(2-allyloxyphenoxy)-3-(isopropylamino)- 71186-75-9 BSPBio_001014 Corbeton (TN) DB01580 Koretal Osprenololo [DCIT] Oxprenololum [INN-Latin] 1-((1-Methylethyl)amino)-3-(2-(2-propenyloxy)phenoxy)-2-propanol 1-(2-Allyloxy-phenoxy)-3-isopropylamino-propan-2-ol (Oxprenolol) SPBio_002937 1-[(1-Methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-2-propanol Trasicor (TN) 22972-96-9 AC1L1ILM CCRIS 4201 Coretal (TN) DTXSID1043835 Laracor (hydrochloride) Oxprenolol (TN) Prestwick2_001057 Slow Trasicor 1-(2-allyloxyphenoxy)-3-(isopropylamino)propan-2-ol Trasacor 1-[o-(allyloxy)phenoxy]-3-(isopropylamino)-2-propanol Trasitensin (TN) 6452-71-7 BPBio1_001116 D0X2MB EINECS 245-359-6 MCULE-3209868387 Oxprenolol, dl- (+-)-Oxprenolol [ Show all ]
Inchi Key	CEMAWMOMDPGJMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3
PubChem CID	4631
ChEMBL	CHEMBL546
IUPHAR	N/A
BindingDB	50240370
DrugBank	DB01580
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
ID50	0.04 umol.kg-1	PMID2892934	ChEMBL

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