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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	CHEMBL1159714
Molecular formula	C14H23NO2
IUPAC name	1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	237.343
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	MCULE-3120795990 AKOS009143280 AB00082985-01 Oprea1_288690 BDBM50421719 1-(3,5-dimethylphenoxy)-3-(propan-2-ylamino)propan-2-ol Ko 707 AC1MDVHS SCHEMBL11859412 [ Show all ]
Inchi Key	ZEQHCHRGGOXXLH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-11(3)5-12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3
PubChem CID	2843596
ChEMBL	CHEMBL1159714
IUPHAR	N/A
BindingDB	50421719
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	11.76 -	PMID2836587	ChEMBL
-Log KD	8.29 -	PMID2993621	ChEMBL
Kd	10.0 nM	PMID2993621	BindingDB
Kd	10.23 nM	PMID2993621	ChEMBL

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