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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	MLS001211760
Molecular formula	C21H16N2O6S2
IUPAC name	3-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Molecular weight	456.487
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.1
Synonyms	ST50150449 3-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid HMS2844J14 3-({3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid AC1LTHYU BDBM82924 SCHEMBL12008590 3-[3-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid CHEMBL1320143 STK994304 3-[[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid 3-[3-(5-Benzo[1,3]dioxol-5-ylmethylene-4-oxo-2-thioxo-thiazolidin-3-yl)-propiony AKOS000524373 CCG-4485 SMR000517824 3-[3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid cid_1561106 ZINC1767771 3-{3-[5-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazol idin-3-yl]propanoylamino}benzoic acid BAS 02769574 MolPort-000-503-194 3-[3-(5-Benzo[1,3]dioxol-5-ylmethylene-4-oxo-2-thioxo-thiazolidin-3-yl)-propionylamino]-benzoic acid [ Show all ]
Inchi Key	ADDVYGKGQOBLPI-MFOYZWKCSA-N
Inchi ID	InChI=1S/C21H16N2O6S2/c24-18(22-14-3-1-2-13(10-14)20(26)27)6-7-23-19(25)17(31-21(23)30)9-12-4-5-15-16(8-12)29-11-28-15/h1-5,8-10H,6-7,11H2,(H,22,24)(H,26,27)/b17-9-
PubChem CID	1561106
ChEMBL	CHEMBL1320143
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
463201	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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