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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	CHEMBL1835862
Molecular formula	C27H41N3O5
IUPAC name	[3-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]-5-methylphenyl]urea
Molecular weight	487.641
Hydrogen bond acceptor	6
Hydrogen bond donor	6
XlogP	2.9
Synonyms	n-[3-(4-{[6-({(2r)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)-5-methylphenyl]urea CHEMBL1852543 SCHEMBL524208 BDBM50419312 DBESJEGRRAZRSW-SANMLTNESA-N
Inchi Key	DBESJEGRRAZRSW-SANMLTNESA-N
Inchi ID	InChI=1S/C27H41N3O5/c1-20-14-21(16-24(15-20)30-27(28)34)8-4-7-13-35-12-6-3-2-5-11-29-18-26(33)22-9-10-25(32)23(17-22)19-31/h9-10,14-17,26,29,31-33H,2-8,11-13,18-19H2,1H3,(H3,28,30,34)/t26-/m0/s1
PubChem CID	10288976
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50419312
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor.

Experimental Data

Parameter	Value	Reference	Database source
EC50	40.0 nM	PMID21925889	BindingDB

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