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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	MLS000705957
Molecular formula	C22H20N2O4
IUPAC name	9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione
Molecular weight	376.412
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.3
Synonyms	9-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione HMS2608A11 AKOS001684448 Opera_ID_1850 9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-quinone 9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione CHEMBL1522846 SR-01000112808 AC1LKUHZ MCULE-1744951399 BDBM42248 REGID_for_CID_998883 9-(3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(2-phenylethyl)-7,8-dihydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione 9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione cid_998883 SR-01000112808-1 AH-262/41702235 9-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione SMR000226463 [ Show all ]
Inchi Key	BUOLDNZXUBADKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20N2O4/c25-16-8-9-19(26)18(13-16)17-7-4-11-24-20(27)14-23(22(28)21(17)24)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2
PubChem CID	998883
ChEMBL	CHEMBL1522846
IUPHAR	N/A
BindingDB	42248
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
33221	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
33220	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
467005	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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