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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	AC1Q1QBV KB-123971 Anapriline KBioGR_001347 b-Propranolol LS-122410 Betachron BRD-A10070317-003-17-6 (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol CCRIS 3082 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane 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 525P666 Inderal NSC 91523 (Salt/Mix) PDSP1_001608 Prestwick3_000952 propranololo Reducor SPBio_001658 Spectrum5_000751 Inderex AKOS016050338 KBio2_005083 Avlocardyl KBioSS_002523 Bedranol Migrastat Bio1_000367 C07407 CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol EINECS 235-867-6 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- hemangiol AB00053537-10 NCGC00015798-08 Obsidan (Salt/Mix) PDSP2_001592 Propanolol Propranolol Hcl Intensol Propranololum [INN-Latin] SBI-0050871.P003 Spectrum2_001699 Sumial Inderol AN-45556 KBio3_001902 AY 64043 L000679 Beta-Tablinen NCGC00015798-05 BPBio1_001040 (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Euprovasin 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol ICI 45520 (Salt/Mix) AB0108847 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine NCGC00024690-03 PDSP1_000767 Prestwick1_000952 Propanolol,(+/-) PROPRANOLOL,(+) Racemic propranolol Servanolol Spectrum4_000974 AC1Q1QC0 KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N KBioGR_001684 BBL023437 LS-184129 Betadren BSPBio_000944 (A+/-)-Propranolol hydrochloride CHEBI:8499 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Efektolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- FT-0700657 Inderal (Salt/Mix) NSC91523 PDSP2_000755 Propanalol Propranolol (INN) Propranololo [DCIT] Reducor line SPBio_003093 ST024757 INDERIDE-40/25 ALBB-023324 KBio2_007651 Avlocardyl (Salt/Mix) Kemi S Berkolol MolPort-001-794-623 Bio1_000856 C16H21NO2 .beta.-Propranolol cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol dl-propranolol 13013-17-7 EN300-40731 HMS2090L21 AB00053537_11 NCGC00015798-09 Obzidan Pranolol Propanolol [INN-Spanish] Propranolol [INN:BAN] Proprasylyt SCHEMBL12264958 Spectrum3_000883 T7896 AC1L1JA4 Intermigran Anaprilin KBio3_002993 AY-20694 Lopac0_000896 Beta-Timelets NCGC00015798-06 BRD-A10070317-003-06-9 (.+/-.)-Propranolol CCG-103643 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol 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 525-66-6 IDI1_000023 NINDS_000023 PDSP1_001607 Prestwick2_000952 Propranalol PROPRANOLOL,(-) racemic-Propranolol SPBio_001361 Spectrum4_001222 AKOS000588816 KBio2_002515 ARONIS27011 KBioGR_002515 BDBM25761 MCULE-7804628650 Betalong BSPBio_002682 (S)-(-)-PROPRANOLOL 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol EINECS 208-378-0 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- GTPL564 AB00053537 Inderal hydrochloride NCGC00015798-07 Obsidan PDSP2_001591 Propanix Propranolol (TN) Propranololum Sawatal Spectrum2_001301 STK735510 INDERIDE-80/25 AN-18866 KBio3_001766 AY 20694 KS-00002WT3 beta-Propranolol NCGC00015798-04 Bio1_001345 (+-)-Propranolol Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- etalong 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol HMS3428G03 AB00053537_12 NCGC00024690-02 Oprea1_304193 Prestwick0_000952 PROPANOLOL(-) PROPRANOLOL, d R,S-Propranolol Hydrochloride SCHEMBL3955 Spectrum3_001071 W-109550 [ 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

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