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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	264233-05-8
Molecular formula	C17H19F2N5O2S
IUPAC name	methyl 5-[(E)-(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
Molecular weight	395.429
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.9
Synonyms	5-[(E)-(tert-butylthiocarbamoylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid methyl ester CHEBI:92113 Methyl 1-(2,4-Difluoro-phenyl)-5-((4-tert-butyl-thiosemicarbazono)methyl)-1H-pyrazole-4-carboxylate MolPort-002-925-739 AKOS024458078 CID 27456 ML194 1-(2,4-Difluorophenyl)-5-[[2-[[(1,1-dimethylehyl)amino]thioxomethyl]hydrazinylidene]methyl]-1H-pyrazole-4-carboxylic acid methyl ester BDBM61632 cid_2745687 MLS000834953 5-[(tert-butylthiocarbamoylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid methyl ester methyl 1-[2,4-bis(fluoranyl)phenyl]-5-[(tert-butylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate SCHEMBL19933021 API0010249 CID 2745687 ML194, >=98% (HPLC) CCG-256208 KB-271957 MLS003177459 5-[[[(tert-butylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester CHEMBL1708510 methyl 5-{2-[(tert-butylamino)carbothioyl]carbohydrazonoyl}-1-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylate SMR000461569 B7635 cid-2745687 MLS-0300303.0001 [ Show all ]
Inchi Key	CYNLZIBKERMMOA-AWQFTUOYSA-N
Inchi ID	InChI=1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+
PubChem CID	9581011
ChEMBL	CHEMBL1708510
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
53707	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
53708	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
53710	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
53709	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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