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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	MLS000834951
Molecular formula	C14H13F2N5O2S
IUPAC name	methyl 1-(2,4-difluorophenyl)-5-[(E)-(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
Molecular weight	353.348
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.0
Synonyms	BDBM61631 methyl 1-(2,4-difluorophenyl)-5-{2-[(methylamino)carbothioyl]carbohydrazonoyl}-1H-pyrazole-4-carboxylate 1-(2,4-difluorophenyl)-5-[(methylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester HMS1669H04 SMR000461567 CCG-256204 methyl 1-[2,4-bis(fluoranyl)phenyl]-5-[(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate CHEMBL1716874 MLS003177460 1-(2,4-difluorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester methyl 1-(2,4-difluorophenyl)-5-[(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate CHEBI:92945 MLS-0300304.0001 1-(2,4-difluorophenyl)-5-[(E)-(methylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester cid_2745684 MolPort-002-925-736 [ Show all ]
Inchi Key	CZWSVMYPLKKOOE-CNHKJKLMSA-N
Inchi ID	InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)/b18-7+
PubChem CID	9581008
ChEMBL	CHEMBL1716874
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
54744	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
54745	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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