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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	CHEMBL2158355
Molecular formula	C21H20N2O5S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-butoxybenzoate
Molecular weight	412.46
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.6
Synonyms	877635-62-6 MLS-0437355.0001 BDBM50393914 SR-01000020333-1 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-butoxybenzoate F2510-0040 AC1OHVPB MolPort-003-127-565 ZINC4377207 MCULE-2819126309 AKOS024654717 SR-01000020333 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-butoxybenzoate [ Show all ]
Inchi Key	BUGHHCRBEJONTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O5S/c1-2-3-11-26-16-7-5-15(6-8-16)20(25)28-19-13-27-17(12-18(19)24)14-29-21-22-9-4-10-23-21/h4-10,12-13H,2-3,11,14H2,1H3
PubChem CID	7217891
ChEMBL	CHEMBL2158355
IUPHAR	N/A
BindingDB	50393914
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
33000	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
33001	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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