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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	MLS-0435416.0001
Molecular formula	C24H24N2O4S2
IUPAC name	ethyl 4-[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate
Molecular weight	468.586
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.7
Synonyms	STK837435 4-[4-[(5Z)-4-keto-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid ethyl ester CHEMBL1589694 AB00112192-01 ethyl 4-({4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate BDBM64810 ZINC8714022 4-[[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid ethyl ester cid_5731274 AC1NWL9U ethyl 4-[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate (Z)-ethyl 4-(4-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)benzoate MolPort-000-567-299 ethyl 4-({4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate AKOS002349264 ethyl 4-[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate [ Show all ]
Inchi Key	FBYDDSQSTCBIST-HKWRFOASSA-N
Inchi ID	InChI=1S/C24H24N2O4S2/c1-3-30-23(29)18-10-12-19(13-11-18)25-21(27)5-4-14-26-22(28)20(32-24(26)31)15-17-8-6-16(2)7-9-17/h6-13,15H,3-5,14H2,1-2H3,(H,25,27)/b20-15-
PubChem CID	5731274
ChEMBL	CHEMBL1589694
IUPHAR	N/A
BindingDB	64810
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
74672	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
74671	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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