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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	CHEMBL2158005
Molecular formula	C17H10ClN3O6S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-5-nitrobenzoate
Molecular weight	419.792
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.8
Synonyms	ZINC9829253 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-chloro-5-nitrobenzoate MCULE-5690344762 AKOS024654806 SR-01000020415 MLS-0437367.0001 BDBM50393907 SR-01000020415-1 F2510-0136 877636-54-9 MolPort-003-127-658 [ Show all ]
Inchi Key	CVGXGMFNRHYEOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H10ClN3O6S/c18-13-3-2-10(21(24)25)6-12(13)16(23)27-15-8-26-11(7-14(15)22)9-28-17-19-4-1-5-20-17/h1-8H,9H2
PubChem CID	18572337
ChEMBL	CHEMBL2158005
IUPHAR	N/A
BindingDB	50393907
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
51443	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
51444	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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