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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Mus musculus (Mouse)
Gene	Adrb2
Synonym	beta2-adrenoceptor beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor Adrb-2 beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGPHGNDSDFLLAPNGSRAPDHDVTQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFIISLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKKAIDCYTEETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRDNLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEPNTCQLGQEREQELLCEDPPGMEGFVNCQGTVPSLSVDSQGRNCSTNDSPL
UniProt	P18762
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3707
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL70217
Molecular formula	C25H32F3N3O4
IUPAC name	6-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
Molecular weight	495.543
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	3.2
Synonyms	SCHEMBL10606885 6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-heptanoic acid (4-trifluoromethyl-phenyl)-amide 6-[3-(4-Acetylaminophenoxy)-2-hydroxypropylamino]-N-(4-trifluoromethylphenyl)heptanamide BDBM50010562
Inchi Key	WNEIZOXOSDHMKM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)
PubChem CID	14485410
ChEMBL	CHEMBL70217
IUPHAR	N/A
BindingDB	50010562
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	390.0 nM	PMID1967313	BindingDB,ChEMBL
Relative potency	35.13 -	PMID1967313	ChEMBL

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