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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	Canis lupus familiaris (Dog)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	415
Amino acid sequence	MGQPANRSVFLLAPNGSHAPDQGDSQERSEAWVVGMGIVMSLIVLAIVFGNVLVITAIARFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAKETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAQRQLQKIDRSEGRFHAQNLSQVEQDGRSGHGHRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSNNSNSRSDYAGEHSGCHLGQEKDSELLCEDPPGTEDRQGTVPSDSVDSQGRNCSTNDSLL
UniProt	P54833
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	CHEMBL2289
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL42359
Molecular formula	C9H12FNO3
IUPAC name	4-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular weight	201.197
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	0.0
Synonyms	AC1LBSUR SCHEMBL12287584 4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol(6-FEPI) Benzenethanamine, 2-fluoro-2',4,5-trihydroxy-N-methyl- 4-[1-Hydroxy-2-(methylamino)ethyl]-5-fluoropyrocatechol CTK8H9326 (+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol AKOS027395536 4-Fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-1,2-benzenediol # DKBXREAGJFVVAP-UHFFFAOYSA-N 4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol BDBM50019057 4-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol [ Show all ]
Inchi Key	DKBXREAGJFVVAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
PubChem CID	541604
ChEMBL	CHEMBL42359
IUPHAR	N/A
BindingDB	50019057
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	50000.0 nM	PMID10780918	BindingDB,ChEMBL

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