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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	terbutaline
Molecular formula	C12H19NO3
IUPAC name	5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
Molecular weight	225.288
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	0.9
Synonyms	1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]- NCGC00016010-04 5-(2-(tert-Butylamino)-1-hydroxyethyl)benzene-1,3-diol Prestwick1_000391 AB00053548 Spectrum3_000593 Asthmasian (TN) Terbutalina [DCIT] Brethaire Terbutalini sulfas Bricanyl (TN) CCG-205201 DB00871 J-014950 (+-)-5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-benzenediol KBioSS_001510 L000594 23031-25-6 NINDS_000078 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol, 5 SBI-0051094.P004 ACM23031256 Spectrum_001030 Benzyl alcohol, .alpha.-((t-butylamino)methyl)-3,5-dihydroxy- Terbutaline (sulfate de) Brethine Terbutalinum Bricyn CHEMBL1760 EINECS 245-385-8 KBio2_001510 031T256 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-(9CI) LS-7713 46719-29-3 PDSP2_000157 SPBio_002522 API0005740 Terbutalin BRD-A50157456-065-02-4 Terbutaline [INN:BAN] Bricanyl VA11844 BSPBio_002066 D0M8RC I01-3464 KBio3_001566 1-(3',5'-dihydroxyphenyl)-2-(t-butylamino)-ethanol NCGC00016010-06 5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-benzenediol # Prestwick2_000391 AB00053548_15 Spectrum4_000870 AX8152612 Brethaire (Salt/Mix) Terbutalino Bricar CHEBI:9449 DivK1c_000078 KB-243251 (+-)-Terbutaline KWD 2019 Lopac0_001126 23031-32-5 (Sulfate) Oprea1_823972 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol SCHEMBL4391 AKOS015889885 SR-01000000174 Benzyl alcohol, alpha-((t-butylamino)methyl)-3,5-dihydroxy- Terbutaline sulfate Brethine (TN) Terbutalinum [INN-Latin] BRN 2370513 CTK8E4128 FT-0654976 KBio2_004078 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)- 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, (+-)- NCGC00016010-03 5-(2-((1,1-DIMETHYLETHYL)AMINO)-1-HYDROXYETHYL)-1,3-BENZENEDIOL Prestwick0_000391 A816514 Spectrum2_001327 Asthmasian Terbutalina BRD-A50157456-065-12-3 Terbutaline,(+/-) Bricanyl (Salt/Mix) XWTYSIMOBUGWOL-UHFFFAOYSA-N C07129 IDI1_000078 KBioGR_001539 KWD-2019 2-t-Butylamino-1-(3,5-dihydroxyphenyl)ethanol NCGC00089821-02 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol Prestwick3_000391 AC1L1KA2 Spectrum5_001262 BDBM25770 Terbutaline (INN) Brethaire (TN) Terbutalino [INN-Spanish] Bricaril DTXSID7021310 KBio1_000078 LS-29961 PDSP1_000158 5-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}benzene-1,3-diol SPBio_001453 alpha-[(tert-butylamino)methyl]-3,5-dihydroxybenzenemethanol SR-01000000174-2 BPBio1_000663 Terbutaline sulfate (Salt/Mix) Brican TR-036208 BSPBio_000601 D08570 GTPL560 KBio2_006646 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)- (9CI) [ Show all ]
Inchi Key	XWTYSIMOBUGWOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
PubChem CID	5403
ChEMBL	CHEMBL1760
IUPHAR	560
BindingDB	25770
DrugBank	DB00871
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
-Delta G	6.98 -	PMID2836587	ChEMBL
-Delta G	10.34 -	PMID2836587	ChEMBL
EC50	3162.0 nM	PMID21652207	BindingDB
EC50	3162.28 nM	PMID21652207	ChEMBL
Intrinsic activity	0.7 -	PMID21652207	ChEMBL
Kd	2399.0 nM	PMID15655528	BindingDB
Kd	2510.0 nM	PMID19168263	BindingDB,ChEMBL
Kd	2511.89 nM	PMID23954364	ChEMBL
Ki	<10000.0 nM	PMID14730417, PMID8699	PDSP,BindingDB
Ki	2510.0 nM	PMID15655528	IUPHAR
Ki	2511.89 nM	PMID16051698	PDSP
Ki	2511.89 nM	PMID16051698	BindingDB
Potency	10322.5 nM	PubChem BioAssay data set	ChEMBL

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