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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	propranolol
Molecular formula	C16H21NO2
IUPAC name	1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	(S)-(-)-PROPRANOLOL Spectrum2_001301 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol STK735510 DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol EINECS 208-378-0 NCGC00015798-07 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- GTPL564 Obsidan AB00053537 Inderal hydrochloride PDSP2_001591 AKOS000588816 KBio2_002515 Propanix ARONIS27011 KBioGR_002515 Propranolol (TN) BDBM25761 MCULE-7804628650 Propranololum Betalong Sawatal BSPBio_002682 SCHEMBL3955 Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol Spectrum3_001071 Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol W-109550 DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- etalong NCGC00024690-02 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol HMS3428G03 Oprea1_304193 AB00053537_12 INDERIDE-80/25 Prestwick0_000952 AN-18866 KBio3_001766 PROPANOLOL(-) AY 20694 KS-00002WT3 PROPRANOLOL, d beta-Propranolol NCGC00015798-04 R,S-Propranolol Hydrochloride Bio1_001345 (+-)-Propranolol (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol SPBio_001658 CCRIS 3082 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane Spectrum5_000751 D08443 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol DTXSID6023525 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) FE-0204 NSC 91523 (Salt/Mix) 525P666 Inderal PDSP1_001608 AC1Q1QBV KB-123971 Prestwick3_000952 Anapriline KBioGR_001347 b-Propranolol LS-122410 propranololo Betachron Reducor BRD-A10070317-003-17-6 Spectrum2_001699 CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol Sumial DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol EINECS 235-867-6 NCGC00015798-08 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- hemangiol Obsidan (Salt/Mix) AB00053537-10 Inderex PDSP2_001592 AKOS016050338 KBio2_005083 Propanolol Avlocardyl KBioSS_002523 Propranolol Hcl Intensol Bedranol Migrastat Propranololum [INN-Latin] Bio1_000367 SBI-0050871.P003 C07407 Servanolol CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol Spectrum4_000974 CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Euprovasin NCGC00024690-03 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol ICI 45520 (Salt/Mix) PDSP1_000767 AB0108847 Inderol Prestwick1_000952 AN-45556 KBio3_001902 Propanolol,(+/-) AY 64043 L000679 PROPRANOLOL,(+) Beta-Tablinen NCGC00015798-05 Racemic propranolol BPBio1_001040 (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material (A+/-)-Propranolol hydrochloride SPBio_003093 CHEBI:8499 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol ST024757 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Efektolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- FT-0700657 NSC91523 Inderal (Salt/Mix) PDSP2_000755 AC1Q1QC0 KBio1_000023 Propanalol AQHHHDLHHXJYJD-UHFFFAOYSA-N KBioGR_001684 Propranolol (INN) BBL023437 LS-184129 Propranololo [DCIT] Betadren Reducor line BSPBio_000944 C16H21NO2 .beta.-Propranolol Spectrum3_000883 cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol T7896 dl-propranolol 13013-17-7 EN300-40731 NCGC00015798-09 HMS2090L21 Obzidan AB00053537_11 INDERIDE-40/25 Pranolol ALBB-023324 KBio2_007651 Propanolol [INN-Spanish] Avlocardyl (Salt/Mix) Kemi S Propranolol [INN:BAN] Berkolol MolPort-001-794-623 Proprasylyt Bio1_000856 SCHEMBL12264958 SPBio_001361 CCG-103643 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol Spectrum4_001222 D,L-Propranolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol Dociton (Salt/Mix) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- F0001-3681 NINDS_000023 525-66-6 IDI1_000023 PDSP1_001607 AC1L1JA4 Intermigran Prestwick2_000952 Anaprilin KBio3_002993 Propranalol AY-20694 Lopac0_000896 PROPRANOLOL,(-) Beta-Timelets NCGC00015798-06 racemic-Propranolol BRD-A10070317-003-06-9 (.+/-.)-Propranolol [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
PubChem CID	4946
ChEMBL	CHEMBL27
IUPHAR	564
BindingDB	25761
DrugBank	DB00571
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
Contractile force	7.6 -	PMID2861287	ChEMBL
DR10	0.13 mg kg-1	PMID6124636	ChEMBL
IC50	2.543 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	18.0 nM	PMID1976812	BindingDB,ChEMBL
IC50	251.19 nM	PMID26565745	ChEMBL
ID50	0.069 mg.kg-1	PMID3001305	ChEMBL
ID50	0.08 umol.kg-1	PMID2892934	ChEMBL
Kd	1.8 nM	PMID21870877	BindingDB
Kd	1.82 nM	PMID21870877	ChEMBL
Kd	6.0 nM	PMID21870877	BindingDB
Kd	6.026 nM	PMID21870877	ChEMBL
Kd	6.9 nM	PMID15655528	BindingDB
Kd	199.53 nM	PMID21870877	ChEMBL
Kd	200.0 nM	PMID21870877	BindingDB
Ki	0.02 nM	PMID8935801	PDSP,BindingDB
Ki	1.468 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.8 nM	PMID14730417	PDSP,BindingDB
Ki	2.3 nM	PMID8093626	BindingDB,ChEMBL
Ki	2.69 nM	PMID7915318	PDSP,BindingDB