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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.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Cavia porcellus (Guinea pig)
Gene	Adrb2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSALKAYGNDCSSNSNGKTDYTGEPNVCHQGQEKERELLCEDPPGTEDLVSCPGTVPSDSIDSQGRNYSTNDSLL
UniProt	Q8K4Z4
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	CHEMBL5414
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL66449
Molecular formula	C15H25NO2
IUPAC name	1-(3-phenylpropoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight	251.37
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.1
Synonyms	1-[(1-Methylethyl)amino]-3-(3-phenylpropoxy)-2-propanol AKOS011225127 BDBM50405618 80617-74-9
Inchi Key	ABSFOXWUNVUMLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H25NO2/c1-13(2)16-11-15(17)12-18-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12H2,1-2H3
PubChem CID	12797747
ChEMBL	CHEMBL66449
IUPHAR	N/A
BindingDB	50405618
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	114.82 nM	PMID2903245	BindingDB,ChEMBL

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