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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	CHEMBL1159711
Molecular formula	C12H17Cl2NO2
IUPAC name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenol
Molecular weight	278.173
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	VUF8303 BDBM50421732 N-t-butyl-2-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxyethylamine
Inchi Key	YCDVEEJCUBEZMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H17Cl2NO2/c1-12(2,3)15-6-10(16)7-4-8(13)11(17)9(14)5-7/h4-5,10,15-17H,6H2,1-3H3
PubChem CID	10016379
ChEMBL	CHEMBL1159711
IUPHAR	N/A
BindingDB	50421732
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	10.51 -	PMID2836587	ChEMBL
-Log KD	7.41 -	PMID2993621	ChEMBL
cAMP production	47.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	0.0003 M	PMID2870189	ChEMBL
ISA	0.39 -	PMID2870189	ChEMBL
Kd	1950.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	6470.0 nM	PMID2870189	BindingDB
KD app	6.47 uM	PMID2870189	ChEMBL

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