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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	MLS000037786
Molecular formula	C19H14N2O3S
IUPAC name	methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate
Molecular weight	350.392
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.7
Synonyms	372153-92-9 MCULE-6857384774 REGID_for_CID_658573 BDBM44430 methyl {[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanyl}acetate ZINC17440313 2-[[3-cyano-4-(2-furanyl)-6-phenyl-2-pyridinyl]thio]acetic acid methyl ester cid_658573 MolPort-002-550-300 AC1LCZ0F methyl 2-[3-cyano-4-(furan-2-yl)-6-phenyl-pyridin-2-yl]sulfanylethanoate SMR000039557 2-[[3-cyano-4-(2-furyl)-6-phenyl-2-pyridyl]thio]acetic acid methyl ester HMS2381F19 Oprea1_468742 AKOS022113688 methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate STL326426 CHEMBL1583671 MLS002581557 [ Show all ]
Inchi Key	ACIZZXXGRGTORB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14N2O3S/c1-23-18(22)12-25-19-15(11-20)14(17-8-5-9-24-17)10-16(21-19)13-6-3-2-4-7-13/h2-10H,12H2,1H3
PubChem CID	658573
ChEMBL	CHEMBL1583671
IUPHAR	N/A
BindingDB	N/A
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
1619	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
1618	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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