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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	Fluorocarazolol
Molecular formula	C18H21FN2O2
IUPAC name	1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol
Molecular weight	316.376
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.6
Synonyms	L001139 CCRIS 8435 Fluorocarazolol,(R) 157989-11-2 LS-173530 (18F)-Fluorocarazolol AC1L3229 1-(9H-Carbazol-4-yloxy)-3-((1-(fluoromethyl)ethyl)amino)-2-propanol CHEMBL111639 Fluorocarazolol,(S) 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((2-(fluoro-18F)-1-methylethyl)amino)-, (S-(R,S))- S-1'[18F]FLUOROCARAZOLOL (S-(R,S))-1-(9H-Carbazol-4-yloxy)-3-((2-(fluoro-18F)-1-methylethyl)amino)-2-propanol BDBM85818 1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol [ Show all ]
Inchi Key	QHLGXPUIUKSADT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3
PubChem CID	133038
ChEMBL	N/A
IUPHAR	N/A
BindingDB	85818
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.114 nM	PMID11512051	PDSP,BindingDB
Ki	0.45 nM	PMID11512051	PDSP,BindingDB

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