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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	MLS000331633
Molecular formula	C22H15NO5
IUPAC name	[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-methoxybenzoate
Molecular weight	373.364
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.9
Synonyms	(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2-methoxybenzoate BDBM79414 Opera_ID_58 [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-methoxybenzoate 2-methoxybenzoic acid [(2Z)-3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester cid_1996694 STK924421 AC1M0E2A [(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2-methoxybenzoate 1164520-03-9 SMR000220672 2-methoxybenzoic acid [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester F3385-0541 VU0259542-3 (2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2-methoxybenzoate AKOS002223404 MolPort-000-253-398 [(2Z)-3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 2-methoxybenzoate 2-Methoxy-benzoic acid 3-oxo-2-[1-pyridin-4-yl-meth-(Z)-ylidene]-2,3-dihydro-benzofuran-6-yl ester CHEMBL1366427 ST50470112 3-oxo-2-(4-pyridylmethylene)benzo[3,4-b]furan-6-yl 2-methoxybenzoate HMS2547J19 ZINC5164632 [ Show all ]
Inchi Key	AEWHVTGTVLCLPQ-NDENLUEZSA-N
Inchi ID	InChI=1S/C22H15NO5/c1-26-18-5-3-2-4-17(18)22(25)27-15-6-7-16-19(13-15)28-20(21(16)24)12-14-8-10-23-11-9-14/h2-13H,1H3/b20-12-
PubChem CID	1996694
ChEMBL	CHEMBL1366427
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
3909	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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