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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	isoproterenol
Molecular formula	C11H17NO3
IUPAC name	4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
Molecular weight	211.261
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-0.6
Synonyms	NSC-9975 Prestwick2_001097 Saventrine Spectrum3_000474 Isuprel (TN) to_000062 KBio2_006565 Lopac0_000711 N-Isopropylnoradrenaline NCGC00015558-10 neo-Epinine 3,4-dihydroxy-alpha-[(isopropylamino)methyl]-benzyl alcohol EN300-148243 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;hydrochloride IDI1_000894 6700-39-6 Isoprenaline AC1Q1QBS Isopropyl noradrenaline API0006523 Isoproterenol (-) Benzyl alcohol, 3,4-dihydroxy-.alpha.-((isopropylamino)methyl)- C07056 (.+/-.)-Isoprenaline d-Isoprenaline .alpha.-(Isopropylaminomoethyl)protocatechuyl alcohol 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- dl-Isopropylnoradrenaline Oprea1_009434 Protocatechuyl alcohol,- SCHEMBL4165 Isoproterenolum Spectrum_000949 Izadrin (Salt/Mix) WLN: QR BQ DYQ1MY1&1 KBioSS_001429 LS-42869 NCGC00015558-05 NCGC00015558-14 Norisodrine DSSTox_CID_3175 4-(1-Hydroxy-2(isopropylamino)ethyl)-benzene 1,2-diol FT-0724367 4-{1-hydroxy-2-[(methylethyl)amino]ethyl}benzene-1,2-diol Isonorene AB00053487-09 Isoprenalinesulphate Aleudrine Isopropylaminomethyl-3,4-dihydroxyphenyl carbinol Asmalar Isoproterenol,(+) BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+-)- (+)-Isoproterenol CCG-204796 (S)-(+)-Isoproterenol d-N-Isopropylnorepinephrine 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI) DivK1c_000894 149-53-1 Prestwick0_001097 Racemic isoproterenol SPBio_003057 Isuprel Tox21_110172 KBio2_001429 L000936 N-Isopropyl-.beta.-dihydroxyphenyl-.beta.-hydroxyethylamine NCGC00015558-08 NCGC00025274-04 NSC 9975 3,4-Dihydroxy-.alpha.-[(isopropylamino)methyl]benzyl alcohol DTXSID4023175 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol # I14-45263 46388-38-9 Isoprenalina AB00053487_12 ISOPROP Aludrin Isopropylnorepinephrine BDBM25392 Bronkephrine (+/-)-isoprenaline D0IF0C 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)- dl-Ipr NSC33791 Proternol SBB005855 Spectrum4_000024 Isuprel Mistometer Vapo-N-iso KBio3_001428 LS-42866 N-Isopropylnorepinephrine NCGC00015558-11 Neodrenal DL-Isopropylnorepinephrine 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol Epinephrine isopropyl homolog 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol Isadrin 683I592 Isoprenaline (INN) AKOS015913894 Isopropyladrenaline AS1409 Isoproterenol Chloride Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)- CAS-7683-59-2 (.+/-.)-Isoproterenol d-Isopropylarterenol 1, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- DB01064 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol PDSP1_001425 Protocatechuyl alcohol,.alpha.-(isopropylamino-methyl),- SGCUT00015 ISOPROTERONOL ST077771 JWZZKOKVBUJMES-UHFFFAOYSA-N l-Isopropylnoradrenaline MCULE-6061231962 NCGC00015558-06 NCGC00016665-02 Novodrin DSSTox_GSID_23175 4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol GTPL536 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol Isonorin AB00053487-10 Isoprenalinum alpha-(Isopropylaminomethyl)protocatechuyl alcohol Isopropylarterenol Assiprenol Isoproterenol-l Benzyl alcohol,4-dihydroxy-.alpha.-[(isopropylamino)methyl]- (+-)-Isoprenaline CCRIS 3081 (S)-Isoprenaline D08090 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-(9CI) DL(+-)-Isoproterenol Prestwick1_001097 Respifral Spectrum2_001061 Isuprel (Salt/Mix) Tox21_110172_1 KBio2_003997 Lomupren N-Isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine NCGC00015558-09 NCGC00162220-01 NSC-33791 3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol EINECS 231-687-7 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol ICI 46399 Isoprenalina [INN-Spanish] AC1L1GOZ Isopropydrin Aludrine Bellasthman BSPBio_002208 (+/-)-isoproterenol CHEMBL434 .alpha.-(Isopropylaminomethyl)protocatechuyl alcohol D0P1IS 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)-(9CI) dl-Isadrine NSC9975 Protocatechuyl alcohol, alpha-(isopropylaminomethyl)- SBI-0050689.P004 Isoproterenol; Spectrum5_000880 Isupren WIN 5162 KBioGR_000427 LS-42868 NCGC00015558-04 NCGC00015558-12 NINDS_000894 dl-N-Isopropylnoradrenaline 3-13-00-02387 (Beilstein Handbook Reference) Euspiran (Salt/Mix) 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol Isadrine 7683-59-2 Isoprenaline [INN] Aleudrin Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol Asiprenol Isoproterenol [JAN] BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+)- (+)-Isoprenaline CCG-204727 (A+/-)-Isoproterenol hydrochloride d-Isoproterenol 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- Dihydroxyphenylethanolisopropylamine 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethanol PDSP2_001409 Racemic isoprenaline SPBio_001042 Isorenin STL558077 KBio1_000894 l-Isoproterenol Medihaler-ISO NCGC00015558-07 NCGC00025274-03 NSC 33791 DSSTox_RID_76904 4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol HMS2089A12 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, 2 Isoprenalin AB00053487_11 Isoprenalinum [INN-Latin] alpha-(Isopropylaminomoethyl)protocatechuyl alcohol Isopropylnoradrenaline BCP09043 BRN 2213857 (+-)-Isoproterenol CHEBI:64317 (S)-Isoproterenol D0I8FI 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (+-)- DL(.+/-.)-Isoproterenol 3,4-Dihydroxy-.alpha.-(isopropylaminomethyl)-benzyl alcohol [ Show all ]
Inchi Key	JWZZKOKVBUJMES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
PubChem CID	3779
ChEMBL	CHEMBL434
IUPHAR	536
BindingDB	25392
DrugBank	DB01064
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
Activity	100.0 %	PMID24326276	ChEMBL
EC50	0.1585 nM	PMID16640337, PMID11806709	ChEMBL
EC50	0.16 nM	PMID16640337, PMID11806709	BindingDB
EC50	0.2 nM	PMID24326276	ChEMBL
EC50	0.84 nM	PMID19608416	BindingDB
EC50	0.84 nM	PMID19608416	ChEMBL
EC50	2.0 nM	PMID15603933, PMID18651730, PMID18553954, PMID19366244	BindingDB,ChEMBL
EC50	3.0 nM	PMID19232786, PMID19362005, PMID19581100	BindingDB,ChEMBL
EC50	39.81 nM	PMID19317397, PMID21696967, PMID21652207, PMID21925889, PMID20462258	ChEMBL
EC50	40.0 nM	PMID19317397, PMID21696967, PMID20462258, PMID21925889, PMID21652207	BindingDB
EC50	87.0 nM	PMID27132867	BindingDB,ChEMBL
EC50	120.0 nM	PMID27132867	BindingDB,ChEMBL
EC50	129.0 nM	PMID22182578	BindingDB
EC50	240.0 nM	PMID22182578	BindingDB
EC50	1000.0 nM	PMID19581100	BindingDB,ChEMBL
Efficacy	1.0 -	PMID2999409	ChEMBL
Emax	100.0 %	PMID27132867	ChEMBL
Emax	116.0 %	PMID16640337, PMID11806709	ChEMBL
IA	100.0 -	PMID10691685	ChEMBL
IC50	246.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Intrinsic activity	1.0 -	PMID21925889, PMID21696967, PMID21652207, PMID19232786, PMID20462258	ChEMBL
Intrinsic activity	100.0 -	PMID10377236	ChEMBL
Kd	50.0 nM	PMID19168263	BindingDB,ChEMBL
Kd	251.19 nM	PMID23954364	ChEMBL
Ki	2.44 nM	PMID24326276	ChEMBL
Ki	46.0 nM	PMID8699, PMID27132867	BindingDB,ChEMBL
Ki	136.0 nM	PMID18783211	BindingDB
Ki	169.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	192.0 nM	PMID24326276	ChEMBL
Ki	398.107 nM	PMID8982677	IUPHAR
Ki	458.0 nM	PMID14730417	BindingDB
Ki	501.0 nM	PMID22182578	BindingDB
Ki	676.08 nM	PMID10377236	ChEMBL
Ki	1258.93 nM	PMID16051698	PDSP
Ki	1258.93 nM	PMID16051698	BindingDB
Ki	1513.56 nM	PMID7915318	PDSP,BindingDB
Ki	2800.0 nM	PMID8699	BindingDB
Km	50.0 nM	PMID2999409	ChEMBL
pK	9.46 -	PMID10691685	ChEMBL
pKact	8.4 -	PMID10377236	ChEMBL
Potency	1299.5 nM	PubChem BioAssay data set	ChEMBL