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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	AC1NSIFU
Molecular formula	C18H25N5O3S
IUPAC name	7-ethyl-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Molecular weight	391.49
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.9
Synonyms	AKOS024592655 regid7970319 F0654-0145 SMR000017953 852169-22-3 MLS000102214 ZINC4138877 REGID_for_CID_5310181 HMS2240M22 SR-01000007935 7-ethyl-1,3-dimethyl-5-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione MolPort-003-040-968 CHEMBL1499181 SCHEMBL1279938 7-ethyl-1,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione MCULE-7867844771 SR-01000007935-1 [ Show all ]
Inchi Key	IKSHHOBCJKJKOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25N5O3S/c1-5-12-19-15-14(17(25)22(4)18(26)21(15)3)16(20-12)27-10-13(24)23-8-6-11(2)7-9-23/h11H,5-10H2,1-4H3
PubChem CID	5310181
ChEMBL	CHEMBL1499181
IUPHAR	N/A
BindingDB	211239
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
479628	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
520273	Taste receptor type 2 member 14	Q9NYV8	TAS2R14	Homo sapiens (Human)	317
135615	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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