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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
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	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1159712
Molecular formula	C13H22N2O2
IUPAC name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(methylamino)phenol
Molecular weight	238.331
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	0.0
Synonyms	BDBM50421721 SCHEMBL4431856 SKF-56301
Inchi Key	JBXKKXNLGHSJEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H22N2O2/c1-13(2,3)15-8-12(17)9-5-6-11(16)10(7-9)14-4/h5-7,12,14-17H,8H2,1-4H3
PubChem CID	10105627
ChEMBL	CHEMBL1159712
IUPHAR	N/A
BindingDB	50421721
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	9.34 -	PMID2836587	ChEMBL
-Log KD	6.58 -	PMID2993621	ChEMBL
cAMP production	115.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	3e-05 M	PMID2870189	ChEMBL
ISA	0.95 -	PMID2870189	ChEMBL
Kd	520.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	560.0 nM	PMID2870189	BindingDB
KD app	0.56 uM	PMID2870189	ChEMBL

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