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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	SMR000102878
Molecular formula	C18H17ClN2O5S
IUPAC name	methyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Molecular weight	408.853
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.6
Synonyms	AC1MDQFC HMS1612B10 MolPort-001-949-363 STK643419 AKOS021997721 methyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Oprea1_321702 332045-82-6 CHEMBL1735683 MLS000105904 SR-01000484375-1 AKOS000526677 HMS2411E24 MolPort-005-972-012 STK891181 BAS 00865546 methyl 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-hydroxy-3,4-dihydropyridine-3-carboxylate AB00080404-01 ethyl 2-[4-(2-chlorophenyl)-3-cyano-5-(methoxycarbonyl)-6-oxo-2-1,4,5-trihydro pyridylthio]acetate MLS002539699 ST50005475 AKOS005574915 MCULE-8085536140 Oprea1_264788 methyl 4-(2-chlorophenyl)-5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate SR-01000484375 [ Show all ]
Inchi Key	AANFFBFJGDXJBT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17ClN2O5S/c1-3-26-13(22)9-27-17-11(8-20)14(10-6-4-5-7-12(10)19)15(16(23)21-17)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23)
PubChem CID	2841174
ChEMBL	CHEMBL1735683
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
463002	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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