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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	CHEMBL271945
Molecular formula	C26H29NO4
IUPAC name	4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
Molecular weight	419.521
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.2
Synonyms	4'-[2-[[(betaR)-beta-Hydroxyphenethyl]amino]ethyl]-3-isopropoxy-4-biphenylcarboxylic acid BDBM50236185 (R)-4''-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-isopropoxybiphenyl-4-carboxylic acid 4-(2-{[(2R)-2-hydroxy-2-phenylethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid 4''-[2-((R)-2-Hydroxy-2-phenyl-ethylamino)-ethyl]-3-isopropoxy-biphenyl-4-carboxylic acid
Inchi Key	PZOXHDZLMHAWOO-DEOSSOPVSA-N
Inchi ID	InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
PubChem CID	24822974
ChEMBL	CHEMBL271945
IUPHAR	N/A
BindingDB	50236185
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	2.0 nM	PMID18307290, PMID19366244, PMID18553954	BindingDB,ChEMBL
Intrinsic activity	0.97 -	PMID18553954	ChEMBL
Ratio	0.97 -	PMID18307290	ChEMBL

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