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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	sotalol
Molecular formula	C12H20N2O3S
IUPAC name	N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
Molecular weight	272.363
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	0.2
Synonyms	GTPL7297 Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-(9CI) N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide NCGC00015919-06 4'-[1-Hhydroxy-2-(isopropylamino)ethyl]methanesulfonanilide R2742 AB00514715_11 Sotalol Monohydrochloride AX8014256 ST24048357 C-17160 d,l-Sotalol DSSTox_CID_3589 L013427 MJ-1999 N-{4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl}methanesulfonamide NCGC00024899-03 930S209 Sorine AC1L1JXU Sotalol,(-) Betapace AF (TN) ZBMZVLHSJCTVON-UHFFFAOYSA-N CAS-3930-20-9 Darob mite DTXSID0023589 Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)- N-(4-[1-Hydroxy-2-(isopropylamino)ethyl]phenyl)methanesulfonamide # NCGC00015919-04 4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide Prestwick2_000966 AB00514715-09 ALBB-022454 Sotalolum [INN-Latin] BRD-A33168282-003-06-5 CCRIS 4204 CHEMBL471 DB00489 HMS2089K09 Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]- N-[4-[1-Hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide (+-)-Sotalol NCGC00015919-07 4'-[1-Hydroxy-2-(isopropylamino)ethyl]metahnesulfonanilide SBI-0051025.P002 AB00514715_12 Sotalol [INN:BAN] BDBM25762 Tox21_110261 C07309 D04VMT DSSTox_GSID_23589 Lopac0_001055 MolPort-002-042-381 N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide 27948-47-6 Prestwick0_000966 959-24-0 (mono-hydrochloride) Sotacor (TN) AK129841 Sotalolo BPBio1_001069 ZX-AN038039 CC-34512 Darob mite (TN) FT-0635062 Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)- (9CI) N-(4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}phenyl)methanesulfonamide NCGC00015919-05 4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid Prestwick3_000966 AB00514715-10 Sotalol (INN) API0004211 SPBio_002892 BSPBio_000971 CHEBI:63622 cid_66245 DL-Sotalol KB-258172 Methanesulfonanilide, 4'-(1-hydroxy-2-(isopropylamino)ethyl)- N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide .beta.-Cardone NCGC00024899-02 4'-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide SCHEMBL16407 AC-19021 Sotalol,(+) beta-Cardone VA11777 C12H20N2O3S D08525 DSSTox_RID_77096 LS-90249 N-(4-(1-Hydroxy-2-(isopropylamino)ethyl)phenyl)methanesulfonamide NCGC00015919-03 3930-20-9 Prestwick1_000966 AB00514715 Sotalex (TN) AKOS015897340 Sotalolum BRD-A33168282-003-03-2 CCG-205132 [ Show all ]
Inchi Key	ZBMZVLHSJCTVON-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
PubChem CID	5253
ChEMBL	CHEMBL471
IUPHAR	N/A
BindingDB	25762
DrugBank	DB00489
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
IC50	1443.4 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	8900.0 nM	PMID1976812	BindingDB,ChEMBL
IC50	9000.0 nM	PMID2319556, PMID1347318	BindingDB,ChEMBL
Kd	1698.0 nM	PMID15655528	BindingDB
Ki	833.5 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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