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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	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	Inderex AKOS016050338 KBio2_005083 NCGC00015798-07 Avlocardyl KBioSS_002523 Obsidan Bedranol Migrastat PDSP2_001591 Bio1_000367 Propanix C07407 Propranolol (TN) CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol Propranololum DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol Sawatal EINECS 235-867-6 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- Spectrum2_001301 hemangiol AB00053537-10 STK735510 W-109550 Inderol AN-45556 KBio3_001902 NCGC00024690-02 AY 64043 L000679 Oprea1_304193 Beta-Tablinen NCGC00015798-05 Prestwick0_000952 BPBio1_001040 (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material PROPANOLOL(-) CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol PROPRANOLOL, d CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol R,S-Propranolol Hydrochloride Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) SCHEMBL3955 Euprovasin 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol Spectrum3_001071 ICI 45520 (Salt/Mix) AB0108847 AC1Q1QC0 KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N KBioGR_001684 NSC 91523 (Salt/Mix) BBL023437 LS-184129 PDSP1_001608 Betadren Prestwick3_000952 BSPBio_000944 (A+/-)-Propranolol hydrochloride CHEBI:8499 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol propranololo 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Reducor Efektolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- SPBio_001658 FT-0700657 Spectrum5_000751 Inderal (Salt/Mix) INDERIDE-40/25 ALBB-023324 KBio2_007651 NCGC00015798-08 Avlocardyl (Salt/Mix) Kemi S Obsidan (Salt/Mix) Berkolol MolPort-001-794-623 PDSP2_001592 Bio1_000856 Propanolol C16H21NO2 .beta.-Propranolol Propranolol Hcl Intensol cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol Propranololum [INN-Latin] dl-propranolol 13013-17-7 SBI-0050871.P003 EN300-40731 Spectrum2_001699 HMS2090L21 AB00053537_11 Sumial AC1L1JA4 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine Intermigran Anaprilin KBio3_002993 NCGC00024690-03 AY-20694 Lopac0_000896 PDSP1_000767 Beta-Timelets NCGC00015798-06 Prestwick1_000952 BRD-A10070317-003-06-9 (.+/-.)-Propranolol Propanolol,(+/-) CCG-103643 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol PROPRANOLOL,(+) D,L-Propranolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol Racemic propranolol Dociton (Salt/Mix) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- Servanolol F0001-3681 525-66-6 Spectrum4_000974 IDI1_000023 AKOS000588816 KBio2_002515 ARONIS27011 KBioGR_002515 NSC91523 BDBM25761 MCULE-7804628650 PDSP2_000755 Betalong Propanalol BSPBio_002682 (S)-(-)-PROPRANOLOL Propranolol (INN) 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol Propranololo [DCIT] DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol Reducor line EINECS 208-378-0 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- SPBio_003093 GTPL564 AB00053537 ST024757 Inderal hydrochloride T7896 INDERIDE-80/25 AN-18866 KBio3_001766 NCGC00015798-09 AY 20694 KS-00002WT3 Obzidan beta-Propranolol NCGC00015798-04 Pranolol Bio1_001345 (+-)-Propranolol Propanolol [INN-Spanish] Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol Propranolol [INN:BAN] Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol Proprasylyt DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- SCHEMBL12264958 etalong 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol Spectrum3_000883 HMS3428G03 AB00053537_12 AC1Q1QBV KB-123971 Anapriline KBioGR_001347 NINDS_000023 b-Propranolol LS-122410 PDSP1_001607 Betachron Prestwick2_000952 BRD-A10070317-003-17-6 (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol Propranalol CCRIS 3082 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane PROPRANOLOL,(-) D08443 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol racemic-Propranolol DTXSID6023525 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) SPBio_001361 FE-0204 525P666 Spectrum4_001222 Inderal [ 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
ED30	<1000.0 ug kg-1	PMID2866246	ChEMBL
ED50	0.071 mg.kg-1	PMID2866246	ChEMBL
Inhibition	-1.16 %	Med Chem Res, (2013) 22:3:1057	ChEMBL
Inhibition	49.7 %	PMID23538234	ChEMBL
Inhibition	63.91 %	Med Chem Res, (2013) 22:3:1057	ChEMBL
Inhibition	73.8 %	PMID23538234	ChEMBL
Kapp	0.011 uM	PMID37339	ChEMBL
Kd	2.399 nM	PMID9572886	ChEMBL
Kd	2.4 nM	PMID9572886	BindingDB
Kd	4.365 nM	PMID2884312	ChEMBL
Kd	4.37 nM	PMID2884312	BindingDB
Kd	4.4 nM	PMID2884312	BindingDB
Kd	2630.0 nM	PMID9572886	BindingDB
Kd	2630.27 nM	PMID9572886	ChEMBL
KD'	2e-09 M	PMID3031293	ChEMBL
Ki	0.69 nM	PMID1968985	BindingDB
Ki	3.0 nM	, Med Chem Res, (2008) 17:8:507	BindingDB,ChEMBL
Ki	3.162 nM	PMID16759089	ChEMBL
Ki	7.0 nM	PMID27692547	BindingDB
Ki	7.0 nM	PMID27692547	ChEMBL
Ki	10.0 nM	PMID16759089	ChEMBL
Ki	31.62 nM	PMID16759089	ChEMBL
Ki	39.81 nM	PMID16759089	ChEMBL
Ki	81.28 nM	PMID1968985	BindingDB
Ki	199.53 nM	PMID16759089	ChEMBL
Ki	9700.0 nM	PMID19131251	BindingDB,ChEMBL