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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	SMR000109040
Molecular formula	C15H13NO4S2
IUPAC name	(4Z)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one
Molecular weight	335.392
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.8
Synonyms	(4Z)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-(prop-2-enylthio)-5-thiazolone CHEMBL1309404 AC1M581A MLS000113133 (4Z)-2-(allylthio)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-2-thiazolin-5-one CHEBI:107096 STK521725 (4Z)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one cid_2297013 AKOS000354947 MolPort-002-232-415 (4Z)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-5(4H)-one ZINC3000824 2-(allylthio)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-1,3-thiazol-5(4H)-one HMS2156G09 BDBM83490 [ Show all ]
Inchi Key	ABLYHHAPJOFYQH-YHYXMXQVSA-N
Inchi ID	InChI=1S/C15H13NO4S2/c1-3-4-21-15-16-10(14(17)22-15)5-9-6-11(18-2)13-12(7-9)19-8-20-13/h3,5-7H,1,4,8H2,2H3/b10-5-
PubChem CID	2297013
ChEMBL	CHEMBL1309404
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
950	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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