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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	SMR000178156
Molecular formula	C18H11N3O4
IUPAC name	2-(4-methylpyridin-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione
Molecular weight	333.303
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	2-(4-methylpyridin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione CHEMBL1419909 STK223634 2-(4-methyl-2-pyridinyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione AC1LE1H2 HMS2483K11 2-(4-Methyl-pyridin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione BDBM50940 MolPort-000-782-316 2-(4-methylpyridin-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione cid_704848 ZINC89171 2-(4-methyl-2-pyridinyl)-6-nitrobenzo[de]isoquinoline-1,3-dione AKOS000645207 MCULE-4179743222 2-(4-methylpyridin-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione 690670-06-5 EU-0013601 2-(4-methyl-2-pyridyl)-6-nitro-benzo[de]isoquinoline-1,3-quinone BAS 04380568 MLS000568285 [ Show all ]
Inchi Key	ABGNBUFUIFDYCP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H11N3O4/c1-10-7-8-19-15(9-10)20-17(22)12-4-2-3-11-14(21(24)25)6-5-13(16(11)12)18(20)23/h2-9H,1H3
PubChem CID	704848
ChEMBL	CHEMBL1419909
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
839	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
840	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
838	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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