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GLASS

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GPCR

Name	Beta-1 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB1
Synonym	Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR beta1-adrenoceptor beta-1 adrenoreceptor Beta-1 adrenoceptor B1AR beta-1 adrenergic receptor [ Show all ]
Disease	Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease Circulatory disorders Chronic open-angle glaucoma; Ocular hypertension Chronic open-angle glaucoma High blood pressure High blood pressure; Angina Hypertension Septic shock; Neurogenic shock Open-angle glaucoma; Ocular hypertension Migraine Maintenance of normal sinus rhythm Hypertension; Ventricular premature beats Hypertension; Heart arrhythmia Hypertension; Angina pectoris Hypertension; Angina Ventricular fibrillation Central and peripheral nervous diseases Acute supraventricular tachycardia Open-angle glaucoma Allergy; Sepsis Angina pectoris Angina pectoris; Hypertension Bronchodilator Cardiac arrhythmias [ Show all ]
Length	477
Amino acid sequence	MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV
UniProt	P08588
Protein Data Bank	N/A
GPCR-HGmod model	P08588
3D structure model	This predicted structure model is from GPCR-EXP P08588.
BioLiP	N/A
Therapeutic Target Database	T44068
ChEMBL	CHEMBL213
IUPHAR	28
DrugBank	BE0000172

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	AB0014121 Atock (TN) CHEBI:63082 Foradil Formoterol [USAN:INN:BAN] MOLI000351 NSC_3083544 SCHEMBL15856256 (+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide AC1Q6QRX BDBM86453 D04KJO Foradile (TN) 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 73573-87-2 AS-14186 CAS_73573-87-2 DB00983 FORMOTEROL FUMARATE L000259 N-[2-hydroxy-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]formamide Oxis (TN) AC-459 BC205764 Foradil (TN) Formoterol, ((R,R)-(+-)-)-isomer MolPort-005-934-219 Oxeze (TN) SCHEMBL349579 AKOS015961179 BPZSYCZIITTYBL-UHFFFAOYSA-N D07990 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 Atimos (TN) CGP-25827A eformoterol Formoterol tartrate Modulite (TN) NCGC00181126-01 Perforomist (TN) AC1L1FVE BD-40A CHEMBL1256786 Foradile 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 AN-15811 C07805 Formoterol (INN) K252 N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide Oxis [ 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	12.59 nM	PMID24835980, PMID24813741	ChEMBL
EC50	13.0 nM	PMID24835980, PMID24813741	BindingDB
EC50	39.81 nM	PMID19317397	ChEMBL
EC50	40.0 nM	PMID19317397	BindingDB
EC50	86.0 nM	PMID20096576	BindingDB
IC50	<630.96 nM	PMID21723724, PMID22079756	ChEMBL
IC50	>631.0 nM	PMID21723724, PMID22079756	BindingDB
Ki	315.0 nM	PMID25065493	BindingDB,ChEMBL
Ki	319.0 nM	PMID20655218	BindingDB,ChEMBL
Ki	1710.0 nM	PMID14730417	PDSP,BindingDB
Ki	1995.0 nM	PMID24813741	BindingDB
Ki	1995.26 nM	PMID24813741	ChEMBL

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