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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	MLS001206870
Molecular formula	C19H13NO7
IUPAC name	[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate
Molecular weight	367.313
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.8
Synonyms	2-oxo-1-benzopyran-3-carboxylic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester ST50187531 4-((1E)-2-nitrovinyl)-2-methoxyphenyl 2-oxochromene-3-carboxylate HMS2815P22 [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxidanylidenechromene-3-carboxylate 2-ketochromene-3-carboxylic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester BAS 01220089 Oprea1_730708 2-Oxo-2H-chromene-3-carboxylic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester CHEMBL1333737 STK852366 [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate 2-methoxy-4-[(E)-2-nitroethenyl]phenyl 2-oxo-2H-chromene-3-carboxylate BDBM67326 SMR000516365 302573-72-4 cid_1183382 ZINC943468 AKOS000536876 MolPort-000-800-287 [ Show all ]
Inchi Key	AIAOTAFSXSSCRY-CMDGGOBGSA-N
Inchi ID	InChI=1S/C19H13NO7/c1-25-17-10-12(8-9-20(23)24)6-7-16(17)27-19(22)14-11-13-4-2-3-5-15(13)26-18(14)21/h2-11H,1H3/b9-8+
PubChem CID	1183382
ChEMBL	CHEMBL1333737
IUPHAR	N/A
BindingDB	67326
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
6044	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
6043	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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