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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	CHEMBL59765
Molecular formula	C23H28ClNO4
IUPAC name	ethyl 2-[[(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
Molecular weight	417.93
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50240563 {(S)-8-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yloxy}-acetic acid ethyl ester ethyl 2-((S)-8-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yloxy)acetate fr-149175 FK-175 SCHEMBL8766572 FK175 [ Show all ]
Inchi Key	QFMUIHJMDMGJAY-UNMCSNQZSA-N
Inchi ID	InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
PubChem CID	9803988
ChEMBL	CHEMBL59765
IUPHAR	N/A
BindingDB	50240563
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	16.0 nM	PMID18307290, PMID18651730, PMID18553954	BindingDB,ChEMBL
EC50	>100.0 nM	PMID9925722	ChEMBL
Intrinsic activity	0.98 -	PMID18651730, PMID18553954	ChEMBL
Ratio	0.98 -	PMID18307290	ChEMBL

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