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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	CHEMBL264819
Molecular formula	C25H28N4O5S2
IUPAC name	2-amino-N-[3-[(1R)-1-hydroxy-2-[2-(7-methylsulfonyl-1H-indol-3-yl)ethylamino]ethyl]phenyl]benzenesulfonamide
Molecular weight	528.642
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	2.4
Synonyms	BDBM50156265 2-Amino-N-(3-{(R)-1-hydroxy-2-[2-(7-methanesulfonyl-1H-indol-3-yl)-ethylamino]-ethyl}-phenyl)-benzenesulfonamide
Inchi Key	AZCIFZCMLRPRAC-QFIPXVFZSA-N
Inchi ID	InChI=1S/C25H28N4O5S2/c1-35(31,32)24-11-5-8-20-18(15-28-25(20)24)12-13-27-16-22(30)17-6-4-7-19(14-17)29-36(33,34)23-10-3-2-9-21(23)26/h2-11,14-15,22,27-30H,12-13,16,26H2,1H3/t22-/m0/s1
PubChem CID	44396673
ChEMBL	CHEMBL264819
IUPHAR	N/A
BindingDB	50156265
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	7.0 %	PMID15546708	ChEMBL

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