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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-0435415.0001
Molecular formula	C23H22N2O4S2
IUPAC name	ethyl 4-[4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate
Molecular weight	454.559
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.4
Synonyms	(Z)-ethyl 4-(4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)butanamido)benzoate BDBM64809 4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoic acid ethyl ester cid_5718885 ZINC11617261 AKOS000532134 ethyl 4-{4-[4-oxo-5-(phenylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoylam ino}benzoate 307527-10-2 MolPort-000-499-735 ethyl 4-[4-[(5Z)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate BAS 00779133 F0207-0080 4-[4-[(5Z)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid ethyl ester CHEMBL1716861 ST50146949 AC1NX2OX ethyl 4-[4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate [ Show all ]
Inchi Key	BFKPPYHEXQOHRY-CYVLTUHYSA-N
Inchi ID	InChI=1S/C23H22N2O4S2/c1-2-29-22(28)17-10-12-18(13-11-17)24-20(26)9-6-14-25-21(27)19(31-23(25)30)15-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,24,26)/b19-15-
PubChem CID	5718885
ChEMBL	CHEMBL1716861
IUPHAR	N/A
BindingDB	64809
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
22400	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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