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GPCR

Name	Beta-3 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB3
Synonym	ADRB Adrb-3 adrenergic receptor atypical beta-adrenoceptor beta 3-AR Beta-3 adrenoceptor Beta-3 adrenoreceptor beta3-adrenergic receptor beta3-adrenoceptor [ Show all ]
Disease	Urinary incontinence Diabetes Glaucoma Hypertension Irritable bowel syndrome Major depressive disorder; Obesity; Type 2 diabetes Major depressive disorder; Severe mood disorders Obesity Gastrointestinal disease Obesity; Type 2 diabetes Asthma; Chronic obstructive pulmonary disease Asthma Angina pectoris Overactive bladder disorder Type 2 diabetes [ Show all ]
Length	408
Amino acid sequence	MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
UniProt	P13945
Protein Data Bank	N/A
GPCR-HGmod model	P13945
3D structure model	This predicted structure model is from GPCR-EXP P13945.
BioLiP	N/A
Therapeutic Target Database	T51408
ChEMBL	CHEMBL246
IUPHAR	30
DrugBank	BE0001012, BE0004872

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	Isoproterenolum 1, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- Spectrum_000949 DB01064 Izadrin (Salt/Mix) 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol WLN: QR BQ DYQ1MY1&1 DL-Isopropylnorepinephrine KBioSS_001429 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol Epinephrine isopropyl homolog LS-42869 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol Isadrin NCGC00015558-05 683I592 Isoprenaline (INN) NCGC00015558-14 AKOS015913894 Isopropyladrenaline Norisodrine AS1409 Isoproterenol Chloride Oprea1_009434 Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)- Protocatechuyl alcohol,- CAS-7683-59-2 (.+/-.)-Isoproterenol SCHEMBL4165 d-Isopropylarterenol SPBio_003057 D08090 Isuprel 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-(9CI) Tox21_110172 DL(+-)-Isoproterenol KBio2_001429 DSSTox_GSID_23175 L000936 4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol GTPL536 N-Isopropyl-.beta.-dihydroxyphenyl-.beta.-hydroxyethylamine 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol Isonorin NCGC00015558-08 AB00053487-10 Isoprenalinum NCGC00025274-04 alpha-(Isopropylaminomethyl)protocatechuyl alcohol Isopropylarterenol NSC 9975 Assiprenol Isoproterenol-l Prestwick0_001097 Benzyl alcohol,4-dihydroxy-.alpha.-[(isopropylamino)methyl]- (+-)-Isoprenaline Racemic isoproterenol CCRIS 3081 (S)-Isoprenaline .alpha.-(Isopropylaminomethyl)protocatechuyl alcohol Spectrum4_000024 D0P1IS Isuprel Mistometer 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)-(9CI) Vapo-N-iso dl-Isadrine KBio3_001428 3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol EINECS 231-687-7 LS-42866 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol ICI 46399 N-Isopropylnorepinephrine Isoprenalina [INN-Spanish] NCGC00015558-11 AC1L1GOZ Isopropydrin Neodrenal Aludrine NSC33791 Bellasthman Proternol BSPBio_002208 (+/-)-isoproterenol SBB005855 CHEMBL434 ISOPROTERONOL 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- ST077771 Dihydroxyphenylethanolisopropylamine JWZZKOKVBUJMES-UHFFFAOYSA-N 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethanol dl-N-Isopropylnoradrenaline l-Isopropylnoradrenaline 3-13-00-02387 (Beilstein Handbook Reference) Euspiran (Salt/Mix) MCULE-6061231962 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol Isadrine NCGC00015558-06 7683-59-2 Isoprenaline [INN] NCGC00016665-02 Aleudrin Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol Novodrin Asiprenol Isoproterenol [JAN] PDSP1_001425 BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+)- (+)-Isoprenaline Protocatechuyl alcohol,.alpha.-(isopropylamino-methyl),- CCG-204727 (A+/-)-Isoproterenol hydrochloride SGCUT00015 d-Isoproterenol Spectrum2_001061 D0I8FI Isuprel (Salt/Mix) 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (+-)- Tox21_110172_1 DL(.+/-.)-Isoproterenol KBio2_003997 3,4-Dihydroxy-.alpha.-(isopropylaminomethyl)-benzyl alcohol DSSTox_RID_76904 Lomupren 4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol HMS2089A12 N-Isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, 2 Isoprenalin NCGC00015558-09 AB00053487_11 Isoprenalinum [INN-Latin] NCGC00162220-01 alpha-(Isopropylaminomoethyl)protocatechuyl alcohol Isopropylnoradrenaline NSC-33791 BCP09043 Prestwick1_001097 BRN 2213857 (+-)-Isoproterenol Respifral CHEBI:64317 (S)-Isoproterenol Isoproterenol; .alpha.-(Isopropylaminomoethyl)protocatechuyl alcohol Spectrum5_000880 Isupren 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- WIN 5162 dl-Isopropylnoradrenaline KBioGR_000427 3,4-dihydroxy-alpha-[(isopropylamino)methyl]-benzyl alcohol EN300-148243 LS-42868 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;hydrochloride IDI1_000894 NCGC00015558-04 6700-39-6 Isoprenaline NCGC00015558-12 AC1Q1QBS Isopropyl noradrenaline NINDS_000894 API0006523 Isoproterenol (-) NSC9975 Benzyl alcohol, 3,4-dihydroxy-.alpha.-((isopropylamino)methyl)- Protocatechuyl alcohol, alpha-(isopropylaminomethyl)- C07056 (.+/-.)-Isoprenaline SBI-0050689.P004 d-Isoprenaline d-N-Isopropylnorepinephrine Isorenin 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI) STL558077 DivK1c_000894 KBio1_000894 149-53-1 DSSTox_CID_3175 l-Isoproterenol 4-(1-Hydroxy-2(isopropylamino)ethyl)-benzene 1,2-diol FT-0724367 Medihaler-ISO 4-{1-hydroxy-2-[(methylethyl)amino]ethyl}benzene-1,2-diol Isonorene NCGC00015558-07 AB00053487-09 Isoprenalinesulphate NCGC00025274-03 Aleudrine Isopropylaminomethyl-3,4-dihydroxyphenyl carbinol NSC 33791 Asmalar Isoproterenol,(+) PDSP2_001409 BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+-)- (+)-Isoproterenol Racemic isoprenaline CCG-204796 (S)-(+)-Isoproterenol SPBio_001042 Spectrum3_000474 D0IF0C Isuprel (TN) 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)- to_000062 dl-Ipr KBio2_006565 3,4-Dihydroxy-.alpha.-[(isopropylamino)methyl]benzyl alcohol DTXSID4023175 Lopac0_000711 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol # I14-45263 N-Isopropylnoradrenaline 46388-38-9 Isoprenalina NCGC00015558-10 AB00053487_12 ISOPROP neo-Epinine Aludrin Isopropylnorepinephrine NSC-9975 BDBM25392 Prestwick2_001097 Bronkephrine (+/-)-isoprenaline Saventrine [ 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
EC50	0.97 nM	PMID18752946, PMID18307290, PMID15603933, PMID18651730, PMID18553954, PMID19366244	BindingDB,ChEMBL
EC50	0.97 nM	PMID18307290, PMID15603933, PMID19366244, PMID18553954, PMID18651730	BindingDB
EC50	2.0 nM	PMID19608416	BindingDB,ChEMBL
EC50	3.162 nM	PMID16640337, PMID11806709	ChEMBL
EC50	3.2 nM	PMID16640337, PMID11806709	BindingDB
EC50	3.9 nM	PMID18083578	BindingDB,ChEMBL
EC50	5.8 nM	PMID18083578	BindingDB,ChEMBL
EC50	12.0 nM	PMID19362005	BindingDB,ChEMBL
EC50	39.81 nM	PMID19317397, PMID21696967, PMID21925889, PMID20462258	ChEMBL
EC50	40.0 nM	PMID19317397, PMID21696967, PMID21925889, PMID20462258	BindingDB
EC50	86.0 nM	PMID26125514	BindingDB,ChEMBL
EC50	87.0 nM	PMID12502364	BindingDB,ChEMBL
EC50	87.1 nM	PMID12502364	ChEMBL
EC50	100.0 nM	PMID19232786, PMID19581100	BindingDB,ChEMBL
EC50	1000.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:2:219, PMID19581100	BindingDB,ChEMBL
Emax	112.0 %	PMID16640337, PMID11806709	ChEMBL
IA	100.0 -	PMID10691685	ChEMBL
Intrinsic activity	0.88 -	PMID18651730	ChEMBL
Intrinsic activity	1.0 -	Bioorg. Med. Chem. Lett., (1997) 7:2:219, PMID19232786, PMID18553954	ChEMBL
Intrinsic activity	100.0 %	PMID18083578	ChEMBL
Intrinsic activity	100.0 -	PMID10377236	ChEMBL
Ki	630.957 - 7943.28 nM	PMID8982677, PMID9131260, PMID8719421, PMID9117106, PMID14730417, PMID14744619	IUPHAR
Ki	1570.0 nM	PMID14730417	BindingDB
Ki	18620.9 nM	PMID10377236	ChEMBL
pK	7.74 -	PMID10691685	ChEMBL
pKact	7.37 -	PMID10377236	ChEMBL
Ratio	1.0 -	PMID18307290	ChEMBL

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