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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	MLS001163538
Molecular formula	C24H21N3O4S2
IUPAC name	3-[(5E)-5-[[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Molecular weight	479.569
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.4
Synonyms	AC1LP9AK MLS003512199 SR-01000788129 3-[(5E)-4-keto-5-[[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-3-yl]propionic acid 3-[(5E)-5-[[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid ML215 BDBM61571 MolPort-002-232-188 CHEMBL1360615 SR-01000788129-1 3-[(5E)-5-[[3-(4-methoxy-2-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid CHEBI:92256 SMR000497337 3-(5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid 3-[(5E)-5-[[3-(4-methoxy-2-methylphenyl)-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid cid_1328217 ZINC15987973 [ Show all ]
Inchi Key	CNMBEYAZXFHTTF-DEDYPNTBSA-N
Inchi ID	InChI=1S/C24H21N3O4S2/c1-15-12-18(31-2)8-9-19(15)22-16(14-27(25-22)17-6-4-3-5-7-17)13-20-23(30)26(24(32)33-20)11-10-21(28)29/h3-9,12-14H,10-11H2,1-2H3,(H,28,29)/b20-13+
PubChem CID	1328217
ChEMBL	CHEMBL1360615
IUPHAR	N/A
BindingDB	61571
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
46157	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
468590	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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