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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	UNII-P50A5YTO0O
Molecular formula	C31H27F3N4O3S2
IUPAC name	N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide
Molecular weight	624.697
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	5.3
Synonyms	(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonamide CHEMBL111201 SCHEMBL1276546 N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide (1R)-1-(3-Pyridyl)-2-[4-[[4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]phenyl]sulfonylamino]phenethylamino]ethanol Benzenesulfonamide, N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)-2-thiazolyl)- N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide (r)-N-[4-[2-[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]benzenesulfonamide L-796568 AC1MI4YO N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[3-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide (R)-N-(4-(2-((2-Hydroxy-2-(pyridin-3-yl)ethyl)amino)ethyl)phenyl)-4-(4-(4-trifluoromethylphenyl)thiazol-2-yl)benzenesulfonamide P50A5YTO0O 211031-01-5 L-796568 free base BDBM50092645 N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide [ Show all ]
Inchi Key	MSOUIIHPMJCUNI-LJAQVGFWSA-N
Inchi ID	InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
PubChem CID	3038500
ChEMBL	CHEMBL111201
IUPHAR	N/A
BindingDB	50092645
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
ACT	94.0 %	PMID11052788	ChEMBL
Activity	94.0 %	PMID20181479	ChEMBL
EC50	2.0 nM	PMID26709102	BindingDB
EC50	2.0 nM	PMID26709102	ChEMBL
EC50	3.0 nM	PMID17632003, PMID15149682	BindingDB,ChEMBL
EC50	3.6 nM	PMID11052788, PMID20181479	BindingDB,ChEMBL
EC50	7.9 nM	PMID26709102	BindingDB,ChEMBL
IA	92.0 -	PMID15149682	ChEMBL
IC50	46.0 nM	PMID11052788	BindingDB,ChEMBL
Intrinsic activity	92.0 %	PMID17632003	ChEMBL
max activation	93.0 %	PMID26709102	ChEMBL
max activation	106.0 %	PMID26709102	ChEMBL

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