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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.
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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	CHEMBL252319
Molecular formula	C13H21NO2
IUPAC name	(2S)-1-(3-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	223.316
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.9
Synonyms	(S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol ((2S)-toliprolol) ZINC2033145 BDBM50241366 SCHEMBL79268 (S)-Toliprolol (S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol UNII-DCP58J201D component NXQMNKUGGYNLBY-LBPRGKRZSA-N [ Show all ]
Inchi Key	NXQMNKUGGYNLBY-LBPRGKRZSA-N
Inchi ID	InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1
PubChem CID	12179890
ChEMBL	CHEMBL252319
IUPHAR	N/A
BindingDB	50241366
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	44.0 nM	PMID2993621	BindingDB

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