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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	UNII-42FZ27IZLV
Molecular formula	C19H22ClNO4
IUPAC name	2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
Molecular weight	363.838
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	0.9
Synonyms	Brl-37344 SB 206606 (4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid Acetic acid, (4-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- CHEBI:131180 116049-78-6 BRD-K07507905-236-01-8 D0Y1PG (4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid BRL-44092 SB-206606 (BRL 37,344)(4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid Acetic acid, 2-(4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- UNII-5DZZ1926YW component ZGGNJJJYUVRADP-ACJLOTCBSA-N (+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid 2-(4-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)acetic acid 42FZ27IZLV BRL 37344 GTPL567 (4-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid Acetic acid, (4-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)- BRL37344 SCHEMBL304308 (R, R) (4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid BDBM50002133 CHEMBL284782 ZINC3871771 (4-((2R)-2-(((2R)-2-(3-Chlorophenyl)-2-hydroxyethyl)amino}propyl)phenoxy)acetic acid 2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)phenoxy)acetic acid [ Show all ]
Inchi Key	ZGGNJJJYUVRADP-ACJLOTCBSA-N
Inchi ID	InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
PubChem CID	9841972
ChEMBL	CHEMBL284782
IUPHAR	567
BindingDB	50002133
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1700.0 nM	PMID12657269, PMID21170122	BindingDB,ChEMBL
IC50	5000.0 nM	PMID9873681	BindingDB,ChEMBL
Intrinsic activity	17.0 %	PMID12657269	ChEMBL
Ki	1130.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:12:1583	BindingDB,ChEMBL
Ki	11300.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:19:2253	BindingDB,ChEMBL

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