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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	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	Foradil Formoterol [USAN:INN:BAN] MOLI000351 NSC_3083544 SCHEMBL15856256 (+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide AB0014121 Atock (TN) CHEBI:63082 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 AC1Q6QRX BDBM86453 DB00983 FORMOTEROL FUMARATE 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 Foradil (TN) Formoterol, ((R,R)-(+-)-)-isomer MolPort-005-934-219 Oxeze (TN) SCHEMBL349579 AC-459 BC205764 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 AKOS015961179 BPZSYCZIITTYBL-UHFFFAOYSA-N eformoterol Formoterol tartrate Modulite (TN) NCGC00181126-01 Perforomist (TN) Atimos (TN) CGP-25827A 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 AC1L1FVE BD-40A CHEMBL1256786 Formoterol (INN) K252 N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide Oxis AN-15811 C07805 [ 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
Activity	100.0 %	PMID20655218	ChEMBL
EC50	0.0831764 nM	PMID20590599	IUPHAR
EC50	0.19 nM	PMID21310610	ChEMBL
EC50	0.1995 nM	PMID24835980, PMID24813741	ChEMBL
EC50	0.199526 nM	PMID24835980, PMID24813741	BindingDB
EC50	0.4 nM	PMID20096576	BindingDB
EC50	0.501187 nM	PMID19317397, PMID21652207	BindingDB
EC50	0.5012 nM	PMID19317397, PMID21652207	ChEMBL
EC50	1.0 nM	PMID21723724, PMID22079756	BindingDB,ChEMBL
EC50	2.5 nM	PMID24835980, PMID24813741, PMID24900851	BindingDB
EC50	2.512 nM	PMID24835980, PMID24813741, PMID24900851	ChEMBL
EC50	7.9 nM	PMID20655218	BindingDB
EC50	7.943 nM	PMID20655218	ChEMBL
Intrinsic activity	0.97 -	PMID19317397	ChEMBL
Intrinsic activity	1.0 -	PMID24900851	ChEMBL
Intrinsic activity	93.0 %	PMID24835980, PMID24813741	ChEMBL
Kd	2.512 nM	PMID23954364	ChEMBL
Ki	2.6 nM	PMID15324892, PMID20655218, PMID25065493	BindingDB,ChEMBL
Ki	23.0 nM	PMID20402514	PDSP
Ki	31.62 nM	PMID24835980, PMID24813741	ChEMBL
Ki	32.0 nM	PMID24835980, PMID24813741	BindingDB
Ki	33.0 nM	PMID21310610	ChEMBL
Ki	2570.0 nM	PMID14730417	PDSP,BindingDB
TIME	0.2167 hr	PMID24900851	ChEMBL

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