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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	SMR000091841
Molecular formula	C14H16N4O2S
IUPAC name	7-amino-4-oxo-5-propan-2-yl-2-prop-2-enylsulfanyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Molecular weight	304.368
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.1
Synonyms	AKOS022002596 REGID_for_CID_4605879 7-amino-4-oxo-2-(prop-2-en-1-ylsulfanyl)-5-(propan-2-yl)-3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile CHEMBL1578918 SR-01000084131-1 AC1NDRL2 MLS000114455 2-(allylthio)-7-amino-5-isopropyl-4-oxo-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile CCG-22730 7-amino-4-oxo-5-(propan-2-yl)-2-(prop-2-en-1-ylsulfanyl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile HMS2265F12 STK915733 AKOS001064079 MolPort-003-250-336 536721-50-3 SR-01000084131 7-amino-4-oxo-5-propan-2-yl-2-prop-2-enylsulfanyl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile MCULE-1025115086 Z56887568 [ Show all ]
Inchi Key	CYZJXPVUZCVQGI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N4O2S/c1-4-5-21-14-17-12(19)10-9(7(2)3)8(6-15)11(16)20-13(10)18-14/h4,7,9H,1,5,16H2,2-3H3,(H,17,18,19)
PubChem CID	4605879
ChEMBL	CHEMBL1578918
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
54100	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
54101	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
469593	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
54098	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
54097	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
54099	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764
54096	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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