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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	N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-4-nitro-1-methyl-1H-pyrazole-5-carboxamide
Molecular formula	C17H13F5N6O3
IUPAC name	N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-2-methyl-4-nitropyrazole-3-carboxamide
Molecular weight	444.322
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	2.4
Synonyms	HMS2445H03 STL399066 AC1LX9IO MolPort-001-642-221 N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-2-methyl-4-nitropyrazole-3-carboxamide MCULE-4305679564 ZINC2113124 AK-968/41924675 CHEMBL1332069 SMR000160260 MLS000538684 AKOS003986613 N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide [ Show all ]
Inchi Key	AGKVLSWEBIASFU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13F5N6O3/c1-6-15(24-17(29)16-9(28(30)31)4-23-26(16)3)7(2)27(25-6)5-8-10(18)12(20)14(22)13(21)11(8)19/h4H,5H2,1-3H3,(H,24,29)
PubChem CID	1768056
ChEMBL	CHEMBL1332069
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
463488	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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