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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	CHEMBL1557707
Molecular formula	C17H11N3O6S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate
Molecular weight	385.35
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.2
Synonyms	MLS-0239733.0001 AC1OHVT8 SMR000324310 ZINC4377277 877636-39-0 HMS2767G23 MLS000685795 AKOS024654792 SR-01000020400 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3-nitrobenzoate MCULE-5863694213 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate AB00585731-02 MolPort-003-127-643 BDBM50393923 SR-01000020400-1 F2510-0121 [ Show all ]
Inchi Key	CCOYLGNMVJOAKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H11N3O6S/c21-14-8-13(10-27-17-18-5-2-6-19-17)25-9-15(14)26-16(22)11-3-1-4-12(7-11)20(23)24/h1-9H,10H2
PubChem CID	7217938
ChEMBL	CHEMBL1557707
IUPHAR	N/A
BindingDB	50393923
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
38796	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
38797	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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