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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	propyl 4-{[(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)carbonyl]amino}benzoate
Molecular formula	C21H20N2O5
IUPAC name	propyl 4-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
Molecular weight	380.4
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.2
Synonyms	AC1LYW5S propyl 4-{[(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)carbonyl]amino}benzoate CHEMBL3907161 ZINC100668519 Oprea1_135734 AKOS005382140 MCULE-2101871974 300586-05-4 propyl 4-[(2-hydroxy-1-methyl-4-oxoquinoline-3-carbonyl)amino]benzoate STK035159 MolPort-001-731-448 [ Show all ]
Inchi Key	BGWQIYOLWFGCAN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O5/c1-3-12-28-21(27)13-8-10-14(11-9-13)22-19(25)17-18(24)15-6-4-5-7-16(15)23(2)20(17)26/h4-11,24H,3,12H2,1-2H3,(H,22,25)
PubChem CID	54676459
ChEMBL	CHEMBL3907161
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
536579	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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