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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	MLS000115918
Molecular formula	C14H13N3O2S2
IUPAC name	1-(5-methylfuran-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Molecular weight	319.397
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.9
Synonyms	MCULE-5442389820 AAHHTLQERBOQHF-UHFFFAOYSA-N SMR000092921 HMS1551J05 ZINC106821 1-(5-methylfuran-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone AC1LEJJ6 CHEMBL1383317 STK734752 1-(5-methyl-2-furyl)-2-{[4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-ethanone HMS2253A23 A3135/0132578 MolPort-002-097-261 AKOS005526302 Ethanone, 1-(5-methylfuran-2-yl)-2-(4-methyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)- TimTec1_006187 1-(5-methylfuran-2-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone [ Show all ]
Inchi Key	AAHHTLQERBOQHF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H13N3O2S2/c1-9-5-6-11(19-9)10(18)8-21-14-16-15-13(17(14)2)12-4-3-7-20-12/h3-7H,8H2,1-2H3
PubChem CID	713182
ChEMBL	CHEMBL1383317
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
203	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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