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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	Rattus norvegicus (Rat)
Gene	Adrb2
Synonym	beta2-adrenoceptor Beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Adrb-2 Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProt	P10608
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	CHEMBL3754
IUPHAR	29
DrugBank	N/A

Ligand

Name	BRN 2116323
Molecular formula	C13H20N2O3
IUPAC name	4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
Molecular weight	252.314
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	0.6
Synonyms	LS-26975 AC1Q5EJK Benzamide, p-(2-hydroxy-3-(isopropylamino)propoxy)- 34275-02-0 CHEMBL3247302 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzamide AKOS009349578 p-(3-Isopropylamino-2-hydroxypropoxy)benzamid 4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzamide CTK4H2058 AC1L4XMM Benzamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)- p-(3-Isopropylamino-2-hydroxypropoxy)benzamid [German] 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide [ Show all ]
Inchi Key	GKCXZIYBNFXMHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N2O3/c1-9(2)15-7-11(16)8-18-12-5-3-10(4-6-12)13(14)17/h3-6,9,11,15-16H,7-8H2,1-2H3,(H2,14,17)
PubChem CID	214809
ChEMBL	CHEMBL3247302
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
Kd	15848.9 nM	PMID31488	ChEMBL

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