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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	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	CHEMBL287587
Molecular formula	C8H10FNO3
IUPAC name	4-(2-amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol
Molecular weight	187.17
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	-0.5
Synonyms	AC1L59C1 3-Fluoro-4-(1-hydroxy-2-aminoethyl)pyrocatechol 4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol(2-FNE) (+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-3-fluoro-, (+-)- 3-Fluoronorepinephrine BDBM50019060 4-(2-Amino-1-hydroxyethyl)-3-fluoro-1,2-benzenediol # 71144-40-6 2-Fluoronorepinephrine 4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol Benzenethanamine, 2-fluoro-.beta.,3,4-trihydroxy- 4-(2-amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol FOTRTWXNJQSQJS-UHFFFAOYSA-N 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-3-fluoro- [ Show all ]
Inchi Key	FOTRTWXNJQSQJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
PubChem CID	172745
ChEMBL	CHEMBL287587
IUPHAR	N/A
BindingDB	50019060
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	140.0 nM	PMID10780918	BindingDB,ChEMBL

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