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GPCR

Name	Beta-2 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB2
Synonym	beta-2 adrenergic receptor Gpcr7 beta2-adrenoceptor Adrb-2 ADRB2R ADRBR adrenergic receptor adrenoceptor beta 2, surface beta-2 adrenoreceptor Beta-2 adrenoceptor B2AR beta 2-AR [ Show all ]
Disease	Premature labour Premature ejaculation Obesity Neurogenic bladder dysfunction Hypertension Ocular hypertension Chronic obstructive pulmonary disease; Asthma Chronic obstructive pulmonary disease Chronic breathing disorders Cachexia Bronchodilator Bradycardia; Heart block Skin infections Unspecified Acute asthma Aging skin; Exacerbations of acute asthma Asthma; Chronic obstructive pulmonary disease Asthma [ Show all ]
Length	413
Amino acid sequence	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProt	P07550
Protein Data Bank	3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod model	P07550
3D structure model	This structure is from PDB ID 3nya.
BioLiP	BL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target Database	T24555, T52522
ChEMBL	CHEMBL210
IUPHAR	29
DrugBank	BE0000694

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	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 AC1L1JA4 Intermigran Anaprilin KBio3_002993 PDSP1_001607 Prestwick2_000952 Propranalol PROPRANOLOL,(-) racemic-Propranolol SPBio_001361 Spectrum4_001222 NINDS_000023 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 AKOS000588816 KBio2_002515 ARONIS27011 Obsidan PDSP2_001591 Propanix Propranolol (TN) Propranololum Sawatal Spectrum2_001301 STK735510 NCGC00015798-07 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 INDERIDE-80/25 AN-18866 KBio3_001766 AY 20694 Oprea1_304193 Prestwick0_000952 PROPANOLOL(-) PROPRANOLOL, d R,S-Propranolol Hydrochloride SCHEMBL3955 Spectrum3_001071 W-109550 NCGC00024690-02 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 AC1Q1QBV KB-123971 Anapriline KBioGR_001347 PDSP1_001608 Prestwick3_000952 propranololo Reducor SPBio_001658 Spectrum5_000751 NSC 91523 (Salt/Mix) 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 Inderex AKOS016050338 KBio2_005083 Avlocardyl Obsidan (Salt/Mix) PDSP2_001592 Propanolol Propranolol Hcl Intensol Propranololum [INN-Latin] SBI-0050871.P003 Spectrum2_001699 Sumial NCGC00015798-08 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 Inderol AN-45556 KBio3_001902 PDSP1_000767 Prestwick1_000952 Propanolol,(+/-) PROPRANOLOL,(+) Racemic propranolol Servanolol Spectrum4_000974 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine NCGC00024690-03 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) AC1Q1QC0 KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N KBioGR_001684 NSC91523 PDSP2_000755 Propanalol Propranolol (INN) Propranololo [DCIT] Reducor line SPBio_003093 ST024757 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 INDERIDE-40/25 ALBB-023324 KBio2_007651 Avlocardyl (Salt/Mix) Obzidan Pranolol Propanolol [INN-Spanish] Propranolol [INN:BAN] Proprasylyt SCHEMBL12264958 Spectrum3_000883 T7896 NCGC00015798-09 [ 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
IC50	1.116 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	50.12 nM	PMID26565745	ChEMBL
Kd	0.239883 nM	PMID21870877	BindingDB
Kd	0.2399 nM	PMID21870877	ChEMBL
Kd	0.60256 nM	PMID21870877	BindingDB
Kd	0.6026 nM	PMID21870877	ChEMBL
Kd	0.79 nM	PMID19168263	ChEMBL
Kd	0.83 nM	PMID15655528	BindingDB
Kd	7.9 nM	PMID19168263	BindingDB
Ki	0.01 nM	PMID8935801	PDSP,BindingDB
Ki	0.316228 - 0.794328 nM	PMID10079020, PMID10531390, PMID15655528, PMID12920204	IUPHAR
Ki	0.38 nM	PMID7915318	PDSP,BindingDB
Ki	0.46 nM	PMID24326276	ChEMBL
Ki	0.61 nM	PMID7915318	PDSP,BindingDB
Ki	0.767 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.8 nM	PMID14730417	PDSP,BindingDB
Ki	2.1 nM	PMID8699	BindingDB
Ki	3.69 nM	PMID24326276	ChEMBL
Ki	400.0 nM	PMID8699	BindingDB

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