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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	MLS001171340
Molecular formula	C16H13N5O3
IUPAC name	(E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-pyridin-2-ylprop-2-enamide
Molecular weight	323.312
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.3
Synonyms	(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]-N-(2-pyridyl)acrylamide cid_6311448 (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-pyridin-2-ylprop-2-enamide SMR000589564 (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]-N-pyridin-2-yl-prop-2-enamide HMS2899B04 AC1O3P9X CHEMBL1310631 (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-N-(2-pyridinyl)-2-propenamide BDBM83655 [ Show all ]
Inchi Key	FPUQPGSEJRDRMP-XYOKQWHBSA-N
Inchi ID	InChI=1S/C16H13N5O3/c1-18-13-6-5-11(9-14(13)21(23)24)8-12(10-17)16(22)20-15-4-2-3-7-19-15/h2-9,18H,1H3,(H,19,20,22)/b12-8+
PubChem CID	6311448
ChEMBL	CHEMBL1310631
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
84372	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
84373	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
84374	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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