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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	CHEMBL415308
Molecular formula	C21H28N2O5S
IUPAC name	ethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-[(2-thiophen-3-ylacetyl)amino]benzoate
Molecular weight	420.524
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.3
Synonyms	SCHEMBL10789464
Inchi Key	LYMWJSSXZZSVGC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N2O5S/c1-4-27-21(26)18-10-16(23-20(25)9-15-7-8-29-13-15)5-6-19(18)28-12-17(24)11-22-14(2)3/h5-8,10,13-14,17,22,24H,4,9,11-12H2,1-3H3,(H,23,25)
PubChem CID	13306518
ChEMBL	CHEMBL415308
IUPHAR	N/A
BindingDB	N/A
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
199474	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
199475	Beta-2 adrenergic receptor	P54833	ADRB2	Canis lupus familiaris (Dog)	415

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