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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	331751-89-4
Molecular formula	C13H11ClN4O2S
IUPAC name	7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Molecular weight	322.767
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	1.4
Synonyms	HMS2885I21 SBB084941 7-(4-Chloro-benzyl)-8-mercapto-3-methyl-3,7-dihydro-purine-2,6-dione AFCLEMNPGSUBDT-UHFFFAOYSA-N BDBM25378 MolPort-000-821-622 ST50234555 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanyl-1,3,7-trihydropurine-2,6-dione EU-0070673 Oprea1_791501 AB00667664-01 MCULE-9987073754 SCHEMBL16028820 7-(4-chlorobenzyl)-3-methyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione AKOS000578621 MolPort-001-938-588 STK046762 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione F0373-0818 purine-2,6-dione, 19 AC1LETVQ BAS 00552965 MLS001208123 SMR000514628 7-(4-chlorobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione CHEMBL454028 Oprea1_227658 ZINC100410741 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione [ Show all ]
Inchi Key	AFCLEMNPGSUBDT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11ClN4O2S/c1-17-10-9(11(19)16-12(17)20)18(13(21)15-10)6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H,15,21)(H,16,19,20)
PubChem CID	741849
ChEMBL	CHEMBL454028
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
463376	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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