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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	CHEMBL2158345
Molecular formula	C18H13N3O6S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-methyl-3-nitrobenzoate
Molecular weight	399.377
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.6
Synonyms	877636-48-1 F2510-0130 SR-01000020409-1 AKOS024654800 MLS-0437362.0002 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-methyl-3-nitrobenzoate SMR002078185 AB00687547-01 MCULE-6637258384 ZINC4377288 BDBM50393924 MLS003389521 SR-01000020409 AC1OHVTW MLS-0437362.0001 [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-methyl-3-nitrobenzoate CHEBI:93304 MolPort-003-127-652 [ Show all ]
Inchi Key	ADBWXKRHRFJRHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13N3O6S/c1-11-3-4-12(7-14(11)21(24)25)17(23)27-16-9-26-13(8-15(16)22)10-28-18-19-5-2-6-20-18/h2-9H,10H2,1H3
PubChem CID	7217946
ChEMBL	CHEMBL2158345
IUPHAR	N/A
BindingDB	50393924
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
2116	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
2117	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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