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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	Arformoterol
Molecular formula	C19H24N2O4
IUPAC name	N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
Molecular weight	344.411
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	1.8
Synonyms	289657-27-8 AC1MJ0T4 Arformoterol [INN] CHEMBL1363 DB01274 Formamide, N-(2-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)-, (R-(R,R))- HSDB 7287 N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide Symbicort (TN) (+-)-2'-Hydroxy-5'-((RS)-1-hydroxy-2-(((RS)-p-methoxy-alpha-methylphenethyl)amino)ethyl)formanilide AN-38345 BPZSYCZIITTYBL-YJYMSZOUSA-N D07463 Fluir Formoterol [USAN:INN:BAN] MolPort-003-847-486 Racemic formoterol W-5127 (-)-Formoterol;Arformoterol;(R,R)-Formoterol 183814-29-1 73F872 Arformoterol (INN) CHEBI:408174 D0P2AG Foradil/Foradile (Schering-Plough in the U.S., Novartis rest of world), Oxeze/Oxis (AstraZeneca), Atock (Astellas), Atimos/Atimos Modulite (Chiesi), and Perforomist (Dey) GTPL7479 N-(2-Hydroxy-5-{1-hydroxy-2-[2-(4-methoxy-phenyl)-1-methyl-ethylamino]-ethyl}-phenyl)-formamide SC-94426 ZINC2599970 299964-45-7 AJ-44036 Atimos cid_9912089 eformoterol formoterol HY-B0010A N-{2-hydroxy-5-[(1R)-1-hydroxy-2-({(1R)-1-methyl-2-[4-(methyloxy)phenyl]ethyl}amino)ethyl]phenyl}formamide UNII-5ZZ84GCW8B component BPZSYCZIITTYBL-YJYMSZOUSA-N (+-)-Formoterol (R,R)-Formoterol 67346-49-0 API0009091 Brovana D0D1DI Flutiform (TN) Formoterol/budesonide N-(2-Hydroxy-5-((R)-1-hydroxy-2-(((R)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamide rel-N-(2-Hydroxy-5-((R)-1-hydroxy-2-(((R)-1-(4-methoxyphenyl)propan-2-yl)amino)ethyl)phenyl)formamide X5000 208102-40-3 Arformoterol tartrate Formamide, N-(2-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)phenyl)- H98 N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]phenyl]formamide SCHEMBL4247 49861-99-6 AKOS015969668 BDBM50151720 CS-1413 F91H02EBWT FORMOTEROL FUMARATE Innovair N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide UNII-F91H02EBWT (-)-Formoterol 126587-85-7 73573-87-2 Brovana (TN) D0E5FY Foradil Formoterol/fluticasone propionate N-(2-hydroxy-5-((R)-1-hydroxy-2-((R)-1-(4-methoxyphenyl)propan-2-ylamino)ethyl)phenyl)formamide SB17482 YM-08316 [ Show all ]
Inchi Key	BPZSYCZIITTYBL-YJYMSZOUSA-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)/t13-,19+/m1/s1
PubChem CID	3083544
ChEMBL	CHEMBL1363
IUPHAR	7479
BindingDB	50151720
DrugBank	DB01274
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	0.19 nM	PMID21310610	BindingDB
EC50	0.3162 nM	PMID24300734	ChEMBL
EC50	0.4 nM	PMID19875286, PMID19643607	BindingDB
EC50	0.4 nM	PMID19875286, PMID19643607	ChEMBL
EC50	0.501187 nM	PMID21696967, PMID21925889, PMID20462258	BindingDB
EC50	0.5012 nM	PMID21696967	ChEMBL
EC50	1.3 nM	PMID20402514	BindingDB,ChEMBL
Intrinsic activity	0.97 -	PMID21696967	ChEMBL
Intrinsic activity	133.0 %	PMID19875286, PMID19643607	ChEMBL
Ki	2.6 nM	PMID15324892	IUPHAR
Ki	23.0 nM	PMID20402514	BindingDB,ChEMBL
Ki	26.0 nM	PMID27132867	BindingDB,ChEMBL
Ki	33.0 nM	PMID21310610	BindingDB

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