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GLASS

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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	CHEMBL102291
Molecular formula	C14H24N2O4S
IUPAC name	N-[2-hydroxy-5-[1-hydroxy-2-(2-methylbutan-2-ylamino)ethyl]phenyl]methanesulfonamide
Molecular weight	316.416
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.8
Synonyms	N-{5-[2-(1,1-Dimethyl-propylamino)-1-hydroxy-ethyl]-2-hydroxy-phenyl}-methanesulfonamide 2-(Methylsulfonylamino)-4-[1-hydroxy-2-(tert-pentylamino)ethyl]phenol BDBM50106805
Inchi Key	ALPVVQDNPOPUTQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H24N2O4S/c1-5-14(2,3)15-9-13(18)10-6-7-12(17)11(8-10)16-21(4,19)20/h6-8,13,15-18H,5,9H2,1-4H3
PubChem CID	44333761
ChEMBL	CHEMBL102291
IUPHAR	N/A
BindingDB	50106805
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	125.0 %	PMID11714605	ChEMBL
Ki	3700.0 nM	PMID11714605	BindingDB,ChEMBL

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