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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	CHEMBL2158271
Molecular formula	C19H15N3O8S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4,5-dimethoxy-2-nitrobenzoate
Molecular weight	445.402
Hydrogen bond acceptor	11
Hydrogen bond donor	0
XlogP	2.1
Synonyms	877637-84-8 MolPort-003-127-802 ZINC9829336 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4,5-dimethoxy-2-nitrobenzoate MCULE-6107856031 AKOS024654935 SR-01000020525 MLS-0437375.0001 BDBM50393901 SR-01000020525-1 F2510-0364 [ Show all ]
Inchi Key	BJZYCHKZQGDNSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15N3O8S/c1-27-15-7-12(13(22(25)26)8-16(15)28-2)18(24)30-17-9-29-11(6-14(17)23)10-31-19-20-4-3-5-21-19/h3-9H,10H2,1-2H3
PubChem CID	18572395
ChEMBL	CHEMBL2158271
IUPHAR	N/A
BindingDB	50393901
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
25598	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
25597	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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