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GLASS

You can:

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	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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