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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	CHEMBL2158279
Molecular formula	C19H16N2O5S
IUPAC name	[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate
Molecular weight	384.406
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.7
Synonyms	AKOS024654707 SR-01000020322 [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate 877635-50-2 MLS-0437380.0001 BDBM50393930 SR-01000020322-1 F2510-0029 AC1OHVOB MolPort-003-127-554 ZINC4377192 6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-methoxybenzoate MCULE-1349697304 [ Show all ]
Inchi Key	DJVWNJGZKGYOTJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16N2O5S/c1-12-7-8-20-19(21-12)27-11-15-9-16(22)17(10-25-15)26-18(23)13-3-5-14(24-2)6-4-13/h3-10H,11H2,1-2H3
PubChem CID	7217879
ChEMBL	CHEMBL2158279
IUPHAR	N/A
BindingDB	50393930
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
61869	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
61870	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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