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GLASS

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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	CHEMBL386016
Molecular formula	C27H31N5O5
IUPAC name	6-[4-[2-[[(2S)-2-hydroxy-3-[(3-methyl-2-oxo-1H-benzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Molecular weight	505.575
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	1.9
Synonyms	(S)-6-(4-(2-(2-hydroxy-3-(3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide BDBM50193803
Inchi Key	BWFZVCAHTKYRFD-IBGZPJMESA-N
Inchi ID	InChI=1S/C27H31N5O5/c1-27(2,13-17-7-10-20(11-8-17)37-23-12-9-18(14-29-23)25(28)34)30-15-19(33)16-36-22-6-4-5-21-24(22)32(3)26(35)31-21/h4-12,14,19,30,33H,13,15-16H2,1-3H3,(H2,28,34)(H,31,35)/t19-/m0/s1
PubChem CID	44419332
ChEMBL	CHEMBL386016
IUPHAR	N/A
BindingDB	50193803
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	8.7 nM	PMID16931005	BindingDB,ChEMBL
Emax	18.0 %	PMID16931005	ChEMBL

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