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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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 UNII-DCP58J201D component NXQMNKUGGYNLBY-LBPRGKRZSA-N (S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol ((2S)-toliprolol) ZINC2033145 BDBM50241366 SCHEMBL79268 (S)-Toliprolol [ 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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