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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	MLS000418558
Molecular formula	C28H35N5O3
IUPAC name	N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
Molecular weight	489.62
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.4
Synonyms	N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-(4-morpholinyl)-1-cyclopentenyl]methylideneamino]-1-methyl-6-oxo-3-pyridinecarboxamide AKOS001014094 SMR000265007 CHEMBL1981990 MLS002637254 N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-yl-cyclopenten-1-yl]methylideneamino]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide BDBM90191 cid_9662775 N-[(E)-[(3E)-3-[4-(diethylamino)benzylidene]-2-morpholino-cyclopenten-1-yl]methyleneamino]-6-keto-1-methyl-nicotinamide N-[(E)-[(3E)-3-[[4-(diethylamino)phenyl]methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide [ Show all ]
Inchi Key	KMLXHMAYCCRLRY-UKCKPQGZSA-N
Inchi ID	InChI=1S/C28H35N5O3/c1-4-32(5-2)25-11-6-21(7-12-25)18-22-8-9-23(27(22)33-14-16-36-17-15-33)19-29-30-28(35)24-10-13-26(34)31(3)20-24/h6-7,10-13,18-20H,4-5,8-9,14-17H2,1-3H3,(H,30,35)/b22-18+,29-19+
PubChem CID	9662775
ChEMBL	CHEMBL1981990
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
172774	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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