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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	MLS000588327
Molecular formula	C20H16N4OS
IUPAC name	(E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-prop-2-enylprop-2-enamide
Molecular weight	360.435
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	(E)-N-allyl-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide cid_1902746 AC1LYM5Z (E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-N-prop-2-enylprop-2-enamide ZINC2278134 1164463-29-9 HMS2516J19 (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-N-prop-2-enyl-2-propenamide AKOS001051827 MolPort-002-348-952 (E)-N-Allyl-2-cyano-3-(1-phenyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-acrylamide CHEMBL1408432 MLS000390287 (E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-N-prop-2-enyl-prop-2-enamide BDBM41949 SMR000212142 [ Show all ]
Inchi Key	HTSQIHHCUYPOOO-NTCAYCPXSA-N
Inchi ID	InChI=1S/C20H16N4OS/c1-2-10-22-20(25)15(13-21)12-16-14-24(17-7-4-3-5-8-17)23-19(16)18-9-6-11-26-18/h2-9,11-12,14H,1,10H2,(H,22,25)/b15-12+
PubChem CID	1902746
ChEMBL	CHEMBL1408432
IUPHAR	N/A
BindingDB	41949
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
123851	Galanin receptor type 2	O43603	GALR2	Homo sapiens (Human)	387

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