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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	SMR000115985
Molecular formula	C21H18N4O3S
IUPAC name	(E)-2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
Molecular weight	406.46
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	AC1LYRLU MolPort-001-973-831 (2E)-2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide SR-01000356279-1 2-Cyano-3-[2,5-dimethyl-1-(4-nitro-phenyl)-1H-pyrrol-3-yl]-N-thiophen-2-ylmethyl-acrylamide MLS000525511 ZINC13401425 AKOS000543661 (2E)-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-cyano-N-(2-thienylmethyl) prop-2-enamide CHEMBL1366910 ST083159 340274-43-3 MLS002535706 BAS 02103121 SR-01000356279 (E)-2-cyano-3-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide HMS2458A20 STL032392 [ Show all ]
Inchi Key	AACGAMXGVRSOQK-GZTJUZNOSA-N
Inchi ID	InChI=1S/C21H18N4O3S/c1-14-10-16(11-17(12-22)21(26)23-13-20-4-3-9-29-20)15(2)24(14)18-5-7-19(8-6-18)25(27)28/h3-11H,13H2,1-2H3,(H,23,26)/b17-11+
PubChem CID	1932011
ChEMBL	CHEMBL1366910
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
52	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
462979	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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