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GPCR

Name	Beta-3 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB3
Synonym	ADRB Adrb-3 adrenergic receptor atypical beta-adrenoceptor beta 3-AR Beta-3 adrenoceptor Beta-3 adrenoreceptor beta3-adrenergic receptor beta3-adrenoceptor [ Show all ]
Disease	Urinary incontinence Diabetes Glaucoma Hypertension Irritable bowel syndrome Major depressive disorder; Obesity; Type 2 diabetes Major depressive disorder; Severe mood disorders Obesity Gastrointestinal disease Obesity; Type 2 diabetes Asthma; Chronic obstructive pulmonary disease Asthma Angina pectoris Overactive bladder disorder Type 2 diabetes [ Show all ]
Length	408
Amino acid sequence	MAPWPHENSSLAPWPDLPTLAPNTANTSGLPGVPWEAALAGALLALAVLATVGGNLLVIVAIAWTPRLQTMTNVFVTSLAAADLVMGLLVVPPAATLALTGHWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRCARTAVVLVWVVSAAVSFAPIMSQWWRVGADAEAQRCHSNPRCCAFASNMPYVLLSSSVSFYLPLLVMLFVYARVFVVATRQLRLLRGELGRFPPEESPPAPSRSLAPAPVGTCAPPEGVPACGRRPARLLPLREHRALCTLGLIMGTFTLCWLPFFLANVLRALGGPSLVPGPAFLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCGRRLPPEPCAAARPALFPSGVPAARSSPAQPRLCQRLDGASWGVS
UniProt	P13945
Protein Data Bank	N/A
GPCR-HGmod model	P13945
3D structure model	This predicted structure model is from GPCR-EXP P13945.
BioLiP	N/A
Therapeutic Target Database	T51408
ChEMBL	CHEMBL246
IUPHAR	30
DrugBank	BE0001012, BE0004872

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	Sorine AC1L1JXU Sotalol,(-) Betapace AF (TN) ZBMZVLHSJCTVON-UHFFFAOYSA-N CAS-3930-20-9 d,l-Sotalol DSSTox_CID_3589 L013427 MJ-1999 N-{4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl}methanesulfonamide NCGC00024899-03 930S209 ALBB-022454 Sotalolum [INN-Latin] BRD-A33168282-003-06-5 CCRIS 4204 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 AB00514715_12 Sotalol [INN:BAN] BDBM25762 Tox21_110261 C07309 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 Sotacor (TN) AK129841 Sotalolo BPBio1_001069 ZX-AN038039 CC-34512 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) AB00514715-10 Sotalol (INN) API0004211 SPBio_002892 BSPBio_000971 CHEBI:63622 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 AC-19021 Sotalol,(+) beta-Cardone VA11777 C12H20N2O3S 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 Sotalex (TN) AKOS015897340 Sotalolum BRD-A33168282-003-03-2 CCG-205132 D08525 DSSTox_RID_77096 LS-90249 N-(4-(1-Hydroxy-2-(isopropylamino)ethyl)phenyl)methanesulfonamide NCGC00015919-03 3930-20-9 Prestwick1_000966 AB00514715 AB00514715_11 Sotalol Monohydrochloride AX8014256 ST24048357 C-17160 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 [ 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
Kd	8913.0 nM	PMID15655528	BindingDB

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