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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL279777
Molecular formula	C17H27NO4
IUPAC name	ethyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
Molecular weight	309.406
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.2
Synonyms	AKOS030615102 SCHEMBL11022108 Benzenepropanoic acid,4-[2-hydroxy-3-[(1- methylethyl)amino]propoxy]-,ethyl ester 81147-95-7 CTK5E8502 BDBM50404811 AC1L4IL8 ethyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-,ethyl ester [ Show all ]
Inchi Key	BQELVJOBZCACSW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H27NO4/c1-4-21-17(20)10-7-14-5-8-16(9-6-14)22-12-15(19)11-18-13(2)3/h5-6,8-9,13,15,18-19H,4,7,10-12H2,1-3H3
PubChem CID	157736
ChEMBL	CHEMBL279777
IUPHAR	N/A
BindingDB	50404811
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
30227	Beta-2 adrenergic receptor	Q8K4Z4	Adrb2	Cavia porcellus (Guinea pig)	418

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