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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	MLS000094053
Molecular formula	C16H16FN5O2S
IUPAC name	ethyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylbutanoate
Molecular weight	361.395
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.5
Synonyms	AKOS024596571 ethyl 2-[[3-(4-fluorophenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl]butanoate SR-01000100257 HMS2177E21 863460-57-5 ethyl 2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)butanoate MolPort-003-049-319 BDBM70348 ethyl 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]thio}butanoate SR-01000100257-1 2-[[3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester CHEMBL1569877 MCULE-2487712224 AC1MMDA5 ethyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylbutanoate SMR000029668 CHEBI:108088 F0682-0881 2-[[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]thio]butyric acid ethyl ester cid_3236943 [ Show all ]
Inchi Key	AACUKVXTFOXDGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16FN5O2S/c1-3-12(16(23)24-4-2)25-15-13-14(18-9-19-15)22(21-20-13)11-7-5-10(17)6-8-11/h5-9,12H,3-4H2,1-2H3
PubChem CID	3236943
ChEMBL	CHEMBL1569877
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
66	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
67	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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