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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	CHEMBL2158261
Molecular formula	C21H20N2O4S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-tert-butylbenzoate
Molecular weight	396.461
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	BDBM50393913 SR-01000020313-1 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-(tert-butyl)benzoate F2510-0019 AC1OHVNK MolPort-003-127-544 ZINC4377181 MCULE-8924353931 AKOS024654697 SR-01000020313 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-tert-butylbenzoate 877635-40-0 MLS-0437351.0001 [ Show all ]
Inchi Key	DGRXKDFFRATIOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O4S/c1-21(2,3)15-7-5-14(6-8-15)19(25)27-18-12-26-16(11-17(18)24)13-28-20-22-9-4-10-23-20/h4-12H,13H2,1-3H3
PubChem CID	7217870
ChEMBL	CHEMBL2158261
IUPHAR	N/A
BindingDB	50393913
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
59547	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
59546	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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