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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	MLS000681503
Molecular formula	C15H12N2O5
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-4-carboxylate
Molecular weight	300.27
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.3
Synonyms	ZINC233164 BDBM67251 292612-45-4 cid_761850 Oprea1_705501 SR-01000439128-1 AC1LFXPD isonicotinic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate 2-(4-methyl-3-nitrophenyl)-2-oxoethyl isonicotinate MolPort-001-530-761 4-pyridinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester EU-0038881 SMR000269167 Z19683573 AKOS001049171 MCULE-4224769624 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyridine-4-carboxylate 2-(4-methyl-3-nitrophenyl)-2-oxoethyl pyridine-4-carboxylate CHEMBL1466556 Oprea1_116226 HMS2583H05 SR-01000439128 [ Show all ]
Inchi Key	CLAPWGYQMWTPNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H12N2O5/c1-10-2-3-12(8-13(10)17(20)21)14(18)9-22-15(19)11-4-6-16-7-5-11/h2-8H,9H2,1H3
PubChem CID	761850
ChEMBL	CHEMBL1466556
IUPHAR	N/A
BindingDB	67251
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
44583	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
44584	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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