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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	Toliprolol
Molecular formula	C13H21NO2
IUPAC name	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	Isopropylamino-1-m-tolyloxy-3-propan-2-ol NXQMNKUGGYNLBY-UHFFFAOYSA-N 1-(Isopropylamino)-3-(m-tolyloxy)-2-propanol BRN 1874722 KO 592 [AS HYDROCHLORIDE] SR-01000945167-2 2-Propanol, 1-(isopropylamino)-3-(m-tolyloxy)- CHEMBL67096 ICI-45763 (Salt/Mix) MCULE-3181316548 Toliprololum 1-(3-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol AC1L2B8T Isopropylamino-1-m-tolyloxy-3-propan-2-ol [German] SCHEMBL79267 2-Propanol, 1-((1-methylethyl)amino)-3-(3-methylphenoxy)- CHEBI:134918 KO-592 [As Hydrochloride] 1-(3'-methyl-phenoxy)-3-(iso-propylamino)-2-propanol 2-Propanol, 1-[(1-methylethyl)amino]-3-(3-methylphenoxy)- EINECS 220-905-6 ICI-45763 [As Hydrochloride] MHIP Toliprololum [INN-Latin] 1-(Isopropylamino)-3-(3-methylphenoxy)-2-propanol # AKOS008962502 KO 592 (Salt/Mix) SR-01000945167 2-Propanol, 1-((1-methylethyl)amino)-3-(3-methylphenoxy)- (9CI) ICI 45763 [AS HYDROCHLORIDE] LS-122425 Toliprolol [INN] 1-(3'-methylphenoxy)-3-(iso-propylamino)-2-propanol 2933-94-0 [ Show all ]
Inchi Key	NXQMNKUGGYNLBY-UHFFFAOYSA-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
PubChem CID	18047
ChEMBL	CHEMBL67096
IUPHAR	N/A
BindingDB	N/A
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	10.87 -	PMID2836587	ChEMBL
-Log KD	7.66 -	PMID2993621	ChEMBL
Kd	43.65 nM	PMID2993621	ChEMBL

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