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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	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	CHEMBL1159710
Molecular formula	C12H20N2O2
IUPAC name	2-amino-4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
Molecular weight	224.304
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-0.7
Synonyms	BDBM50421715 Du-28663 SCHEMBL11876645
Inchi Key	YQKKARBSKVWHQZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H20N2O2/c1-12(2,3)14-7-11(16)8-4-5-10(15)9(13)6-8/h4-6,11,14-16H,7,13H2,1-3H3
PubChem CID	10087493
ChEMBL	CHEMBL1159710
IUPHAR	N/A
BindingDB	50421715
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	8.5 -	PMID2836587	ChEMBL
-Log KD	5.99 -	PMID2993621	ChEMBL
cAMP production	83.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	1.0 M	PMID2870189	ChEMBL
ISA	0.68 -	PMID2870189	ChEMBL
Kd	2040.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	2170.0 nM	PMID2870189	BindingDB
KD app	2.17 uM	PMID2870189	ChEMBL

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