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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	AH 3474
Molecular formula	C13H20N2O3
IUPAC name	5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzamide
Molecular weight	252.314
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	1.3
Synonyms	Benzamide, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-2-hydroxy- Salicylamide, 5-(2-(tert-butylamino)-1-hydroxyethyl)- 5-(2-(tert-Butylamino)-1-hydroxyethyl)salicylamide BRN 2126419 AC1L4PCG AKOS030580505 CTK4E9735 Benzamide, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-2-hydroxy- (9CI) 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzamide AC1Q5DEH BDBM50421727 LS-144141 22560-59-4 Benzamide,5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxy- CHEMBL349845 [ Show all ]
Inchi Key	XJSJWMNGCFMVJB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N2O3/c1-13(2,3)15-7-11(17)8-4-5-10(16)9(6-8)12(14)18/h4-6,11,15-17H,7H2,1-3H3,(H2,14,18)
PubChem CID	161394
ChEMBL	CHEMBL349845
IUPHAR	N/A
BindingDB	50421727
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	9.98 -	PMID2836587	ChEMBL
-Log KD	7.03 -	PMID2993621	ChEMBL
cAMP production	24.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	3e-05 M	PMID2870189	ChEMBL
ISA	0.2 -	PMID2870189	ChEMBL
Kd	470.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	1030.0 nM	PMID2870189	BindingDB
KD app	1.03 uM	PMID2870189	ChEMBL

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