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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	CHEMBL26393
Molecular formula	C19H21ClN2O
IUPAC name	(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol
Molecular weight	328.84
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	3.8
Synonyms	BDBM50126067 SCHEMBL9435482 (R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
Inchi Key	AGWBMRMDTWHPJM-YJYMSZOUSA-N
Inchi ID	InChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3/t13-,19+/m1/s1
PubChem CID	9927453
ChEMBL	CHEMBL26393
IUPHAR	N/A
BindingDB	50126067
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.36 nM	PMID12657269	BindingDB
EC50	0.36 nM	PMID12657269	ChEMBL
EC50	5.4 nM	PMID12657269, PMID21170122	BindingDB,ChEMBL
Intrinsic activity	98.0 %	PMID12657269	ChEMBL
Intrinsic activity	110.0 %	PMID12657269	ChEMBL

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