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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	MLS000536984
Molecular formula	C21H18N2O6
IUPAC name	[4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitrophenyl] acetate
Molecular weight	394.383
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.0
Synonyms	AC1NX09W HMS2398J06 AKOS000359153 SMR000143621 4-methoxy-2-[2-(8-methoxy-2-quinolinyl)vinyl]-6-nitrophenyl acetate CHEMBL1480264 [4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitro-phenyl] ethanoate acetic acid [4-methoxy-2-[(E)-2-(8-methoxy-2-quinolinyl)ethenyl]-6-nitrophenyl] ester BDBM67169 STK980376 cid_5740287 [4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitrophenyl] acetate acetic acid [4-methoxy-2-[(E)-2-(8-methoxy-2-quinolyl)vinyl]-6-nitro-phenyl] ester MolPort-002-276-052 4-methoxy-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]-6-nitrophenyl acetate ZINC5065635 [ Show all ]
Inchi Key	DBGCMZKUJJBDQZ-CSKARUKUSA-N
Inchi ID	InChI=1S/C21H18N2O6/c1-13(24)29-21-15(11-17(27-2)12-18(21)23(25)26)8-10-16-9-7-14-5-4-6-19(28-3)20(14)22-16/h4-12H,1-3H3/b10-8+
PubChem CID	5740287
ChEMBL	CHEMBL1480264
IUPHAR	N/A
BindingDB	67169
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
55616	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
55614	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
55615	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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