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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	F2510-0121 SR-01000020400-1 AC1OHVT8 MLS-0239733.0001 SMR000324310 877636-39-0 HMS2767G23 ZINC4377277 AKOS024654792 MLS000685795 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3-nitrobenzoate SR-01000020400 AB00585731-02 MCULE-5863694213 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate BDBM50393923 MolPort-003-127-643 [ 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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