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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	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	Terbutaline (INN) Brethaire (TN) Terbutalino [INN-Spanish] Bricaril DTXSID7021310 KBio1_000078 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 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) 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 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 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) Benzyl alcohol, .alpha.-((t-butylamino)methyl)-3,5-dihydroxy- Terbutaline (sulfate de) Brethine Terbutalinum Bricyn CHEMBL1760 EINECS 245-385-8 KBio2_001510 031T256 L000594 23031-25-6 NINDS_000078 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol, 5 SBI-0051094.P004 ACM23031256 Spectrum_001030 BRD-A50157456-065-02-4 Terbutaline [INN:BAN] Bricanyl VA11844 BSPBio_002066 D0M8RC I01-3464 KBio3_001566 1,3-Benzenediol, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-(9CI) LS-7713 46719-29-3 PDSP2_000157 SPBio_002522 API0005740 Terbutalin Brethaire (Salt/Mix) Terbutalino Bricar CHEBI:9449 DivK1c_000078 KB-243251 (+-)-Terbutaline KWD 2019 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 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)- Lopac0_001126 23031-32-5 (Sulfate) Oprea1_823972 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol SCHEMBL4391 AKOS015889885 SR-01000000174 Terbutalina BRD-A50157456-065-12-3 Terbutaline,(+/-) Bricanyl (Salt/Mix) XWTYSIMOBUGWOL-UHFFFAOYSA-N C07129 IDI1_000078 KBioGR_001539 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 [ 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
Kd	125893.0 nM	PMID15655528	BindingDB
Ki	<10000.0 nM	PMID14730417	PDSP,BindingDB

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