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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	Rattus norvegicus (Rat)
Gene	Adrb2
Synonym	beta2-adrenoceptor Beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Adrb-2 Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProt	P10608
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	CHEMBL3754
IUPHAR	29
DrugBank	N/A

Ligand

Name	CHEMBL243266
Molecular formula	C21H24N4O7
IUPAC name	4-[[4-[2-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]phenoxy]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
Molecular weight	444.444
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	1.6
Synonyms	4-(4-{2-[2-(3,5-dihydroxy-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxymethyl)-2-oxy-furazan-3-carboxylic acid amide BDBM50221773 rac-4-(4-{(2R)-[2-(3,5-dihydroxyphenyl)-(2S)-hydroxyethylamino]propyl}phenoxymethyl)furoxan-3-carboxamide
Inchi Key	ATTPETUTYJEEIJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N4O7/c1-12(23-10-19(28)14-7-15(26)9-16(27)8-14)6-13-2-4-17(5-3-13)31-11-18-20(21(22)29)25(30)32-24-18/h2-5,7-9,12,19,23,26-28H,6,10-11H2,1H3,(H2,22,29)
PubChem CID	44428083
ChEMBL	CHEMBL243266
IUPHAR	N/A
BindingDB	50221773
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	1200.0 nM	PMID17845020	BindingDB,ChEMBL
EC50	14000.0 nM	PMID17845020	BindingDB,ChEMBL
EC50	16000.0 nM	PMID17845020	BindingDB,ChEMBL

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