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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	CHEMBL1159889
Molecular formula	C16H27NO2
IUPAC name	1-(3-butan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	265.397
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.2
Synonyms	43159-63-3 BDBM50421725 1-(3-butan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol CTK4I7103 3-[3-(1-Methylpropyl)phenoxy]-1-(isopropylamino)-2-propanol AC1L565K 1-((1-Methylethyl)amino)-3-(3-(1-methylpropyl)phenoxy)-2-propanol [ Show all ]
Inchi Key	PPYOOTZYZMMBNR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H27NO2/c1-5-13(4)14-7-6-8-16(9-14)19-11-15(18)10-17-12(2)3/h6-9,12-13,15,17-18H,5,10-11H2,1-4H3
PubChem CID	170739
ChEMBL	CHEMBL1159889
IUPHAR	N/A
BindingDB	50421725
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Log KD	8.05 -	PMID2993621	ChEMBL
Kd	17.78 nM	PMID2993621	ChEMBL
Kd	18.0 nM	PMID2993621	BindingDB

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