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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	formoterol
Molecular formula	C19H24N2O4
IUPAC name	N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
Molecular weight	344.411
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	1.8
Synonyms	GTPL3465 N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide Oxeze/Oxis 3-formylamino-4-hydroxy-alpha-(N-1-methyl-2-p-methoxyphenethylaminomethyl)benzyl alcohol.hemifumarate AKOS015961179 BPZSYCZIITTYBL-UHFFFAOYSA-N D07990 Modulite (TN) NCGC00181126-01 Perforomist (TN) Atimos (TN) CGP-25827A eformoterol Formoterol tartrate Formoterolum n-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide Oxeze Turbuhaler STL450992 2'-hydroxy-5'-(1-hydroxy-2-((p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide AC1L1FVE BD-40A CHEMBL1256786 Foradile K252 N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide Oxis AN-15811 C07805 Formoterol (INN) MOLI000351 NSC_3083544 SCHEMBL15856256 (+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide AB0014121 Atock (TN) CHEBI:63082 Foradil Formoterol [USAN:INN:BAN] Formoterolum [INN-Latin] N-[2-hydroxy-5-(1-hydroxy-2-{[2-(4-methoxyphenyl)-1-methylethyl]amino}ethyl)phenyl]formamide Oxeze Turbuhaler Foradil VA10968 2'-hydroxy-5'-{1-hydroxy-2-[(p-methoxy-alpha-methylphenethyl)amino]ethyl}formanilide AC1Q6QRX BDBM86453 D04KJO Foradile (TN) L000259 N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]formamide Oxis (TN) 73573-87-2 AS-14186 CAS_73573-87-2 DB00983 FORMOTEROL FUMARATE Formoterol, ((R,R)-(+-)-)-isomer MolPort-005-934-219 Oxeze (TN) SCHEMBL349579 AC-459 BC205764 Foradil (TN) [ Show all ]
Inchi Key	BPZSYCZIITTYBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
PubChem CID	3410
ChEMBL	CHEMBL1256786
IUPHAR	3465
BindingDB	86453
DrugBank	DB00983
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	25.0 nM	PMID19317397, PMID24835980, PMID24813741	BindingDB
EC50	25.12 nM	PMID19317397, PMID24835980, PMID24813741	ChEMBL
Ki	8090.0 nM	PMID14730417	PDSP,BindingDB

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