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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	CHEMBL491726
Molecular formula	C26H32N4O5S
IUPAC name	4-[4-[2-[[(2R)-2-(4-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-propan-2-yloxybenzamide
Molecular weight	512.625
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.6
Synonyms	BDBM50249640 4''-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethyl]amino}ethyl)-3-isopropoxy-N-(methylsulfonyl)biphenyl-4-carboxamide
Inchi Key	ZOEWKLNYTOCOCA-DEOSSOPVSA-N
Inchi ID	InChI=1S/C26H32N4O5S/c1-17(2)35-25-14-20(8-9-21(25)26(32)30-36(3,33)34)19-6-4-18(5-7-19)10-12-29-16-24(31)22-15-28-13-11-23(22)27/h4-9,11,13-15,17,24,29,31H,10,12,16H2,1-3H3,(H2,27,28)(H,30,32)/t24-/m0/s1
PubChem CID	44565908
ChEMBL	CHEMBL491726
IUPHAR	N/A
BindingDB	50249640
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.1259 nM	PMID19366244	ChEMBL
EC50	0.14 nM	PMID19366244	ChEMBL
EC50	0.14 nM	PMID19366244	BindingDB

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