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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	MLS000723835
Molecular formula	C20H15N3O5S
IUPAC name	(5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Molecular weight	409.416
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	(5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-dione cid_2180260 ZINC1197694 AC1M30EE (5E)-1-(4-methoxyphenyl)-5-[(2E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione ST033749 (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone HMS2626K13 AKOS001625385 MolPort-002-708-401 (5E)-1-(4-methoxyphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione CHEMBL1582121 STK698827 5-[(2E)-3-(2-nitrophenyl)prop-2-enylidene]-1-(4-methoxyphenyl)-2-thioxo-1,3-di hydropyrimidine-4,6-dione MCULE-7795670193 (5E)-1-(4-methoxyphenyl)-5-[(2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione BDBM48874 SMR000305430 [ Show all ]
Inchi Key	HIDMRGKPCRILQV-ANSBUGDOSA-N
Inchi ID	InChI=1S/C20H15N3O5S/c1-28-15-11-9-14(10-12-15)22-19(25)16(18(24)21-20(22)29)7-4-6-13-5-2-3-8-17(13)23(26)27/h2-12H,1H3,(H,21,24,29)/b6-4+,16-7+
PubChem CID	2180260
ChEMBL	CHEMBL1582121
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
115566	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
115565	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
477136	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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