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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	AC1OIWKI
Molecular formula	C22H24N4O2S
IUPAC name	2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
Molecular weight	408.52
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	F2543-0662 896338-58-2 MLS001234910 VU0474063-1 2-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-9-methyl-4H-pyrido[1,2-a][1,3,5]triazin-4-one HMS3021E06 MolPort-003-133-539 CHEMBL1316781 ZINC4503999 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one MCULE-3875258132 AKOS024659088 SMR000810967 [ Show all ]
Inchi Key	AABACIJMINAVTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O2S/c1-16-6-5-11-26-20(16)23-21(24-22(26)28)29-15-19(27)25-12-9-18(10-13-25)14-17-7-3-2-4-8-17/h2-8,11,18H,9-10,12-15H2,1H3
PubChem CID	7259272
ChEMBL	CHEMBL1316781
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
462976	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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