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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	ethyl 2-(methylsulfanyl)-4-{3-[(phenylsulfonyl)amino]phenoxy}-5-pyrimidinecarboxylate
Molecular formula	C20H19N3O5S2
IUPAC name	ethyl 4-[3-(benzenesulfonamido)phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate
Molecular weight	445.508
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.7
Synonyms	6R-1171 HMS2383B03 MLS000549264 ethyl 4-(3-benzenesulfonamidophenoxy)-2-(methylsulfanyl)pyrimidine-5-carboxylate ZINC1394780 AC1LS36C KS-00003BX6 CHEMBL1343347 MolPort-002-875-674 439111-29-2 ethyl 4-[3-(benzenesulfonamido)phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate AKOS005098918 MCULE-3808760577 SMR000168847 [ Show all ]
Inchi Key	AAOCSIJBSWKPFU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19N3O5S2/c1-3-27-19(24)17-13-21-20(29-2)22-18(17)28-15-9-7-8-14(12-15)23-30(25,26)16-10-5-4-6-11-16/h4-13,23H,3H2,1-2H3
PubChem CID	1481618
ChEMBL	CHEMBL1343347
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
377	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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