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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	CHEMBL127656
Molecular formula	C36H44N8OS
IUPAC name	1-cyano-3-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-[1-(4-octyl-1,3-thiazol-2-yl)-2,3-dihydroindol-4-yl]guanidine
Molecular weight	636.863
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	7.9
Synonyms	1-[4-[2-[[(R)-2-(3-Pyridyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyano-3-[1-(4-octyl-2-thiazolyl)-4-indolinyl]guanidine BDBM50096764
Inchi Key	BJCLVBBSAUATBV-UMSFTDKQSA-N
Inchi ID	InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-11-30-25-46-36(42-30)44-22-19-31-32(12-8-13-33(31)44)43-35(40-26-37)41-29-16-14-27(15-17-29)18-21-39-24-34(45)28-10-9-20-38-23-28/h8-10,12-17,20,23,25,34,39,45H,2-7,11,18-19,21-22,24H2,1H3,(H2,40,41,43)/t34-/m0/s1
PubChem CID	10416656
ChEMBL	CHEMBL127656
IUPHAR	N/A
BindingDB	50096764
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
Activation	62.0 %	PMID11212115	ChEMBL
EC50	13.0 nM	PMID11212115	BindingDB,ChEMBL

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