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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	ethyl 2-[4-(cyanomethyl)-3-oxo-3,4-dihydro-2-quinoxalinyl]acetate
Molecular formula	C14H13N3O3
IUPAC name	ethyl 2-[4-(cyanomethyl)-3-oxoquinoxalin-2-yl]acetate
Molecular weight	271.276
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.1
Synonyms	2-[4-(cyanomethyl)-3-oxo-2-quinoxalinyl]acetic acid ethyl ester cid_5181996 MLS000721275 SMR000335703 AC1NPNJ2 ethyl 2-[4-(cyanomethyl)-3-oxo-3,4-dihydroquinoxalin-2-yl]acetate KS-00001VU4 3R-0829 ethyl 2-[4-(cyanomethyl)-3-oxidanylidene-quinoxalin-2-yl]ethanoate MolPort-002-866-506 ZINC5952823 AKOS005089387 ethyl 2-[4-(cyanomethyl)-3-oxoquinoxalin-2-yl]acetate 2-[4-(cyanomethyl)-3-keto-quinoxalin-2-yl]acetic acid ethyl ester CHEMBL1529516 MCULE-2532115650 478041-11-1 Oprea1_851276 BDBM52697 HMS2687J20 [ Show all ]
Inchi Key	AASGCGWCHGCYQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H13N3O3/c1-2-20-13(18)9-11-14(19)17(8-7-15)12-6-4-3-5-10(12)16-11/h3-6H,2,8-9H2,1H3
PubChem CID	5181996
ChEMBL	CHEMBL1529516
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
491	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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