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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	SMR000009624
Molecular formula	C16H26N4O2S
IUPAC name	7-hexyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Molecular weight	338.47
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	CHEMBL1576529 ST50241242 7-hexyl-8-(isobutylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione AC1LDAW9 MLS000077296 ZINC2060821 332033-51-9 BAS 00844500 MolPort-001-948-165 7-hexyl-3-methyl-8-[(2-methylpropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione 7-HEXYL-8-(ISOBUTYLTHIO)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE HMS2307K10 STK805589 AG-690/12244841 MLS002536394 7-hexyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione 7-hexyl-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione 7-Hexyl-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione MCULE-9842814907 Z223814128 AKOS000717506 MolPort-000-814-759 7-hexyl-3-methyl-8-(2-methylpropylthio)-1,3,7-trihydropurine-2,6-dione [ Show all ]
Inchi Key	ACRRTNCMXDOPHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H26N4O2S/c1-5-6-7-8-9-20-12-13(17-16(20)23-10-11(2)3)19(4)15(22)18-14(12)21/h11H,5-10H2,1-4H3,(H,18,21,22)
PubChem CID	645186
ChEMBL	CHEMBL1576529
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
1851	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
1850	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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