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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	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,(+/-) 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 Terbutalina BRD-A50157456-065-12-3 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 Terbutaline (INN) Brethaire (TN) 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 BPBio1_000663 Terbutaline sulfate (Salt/Mix) 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) Terbutalina [DCIT] Brethaire 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 Benzyl alcohol, .alpha.-((t-butylamino)methyl)-3,5-dihydroxy- Terbutaline (sulfate de) Brethine 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 BRD-A50157456-065-02-4 Terbutaline [INN:BAN] 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 Brethaire (Salt/Mix) 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 Benzyl alcohol, alpha-((t-butylamino)methyl)-3,5-dihydroxy- Terbutaline sulfate [ 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	151356.0 nM	PMID15655528	BindingDB
Ki	<10000.0 nM	PMID14730417	PDSP,BindingDB

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