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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	SMR000012485
Molecular formula	C20H22F3N5O2S
IUPAC name	N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide
Molecular weight	453.484
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.3
Synonyms	N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[4-(2-furyl)-6-(trifluoromethyl)pyrimid in-2-ylthio]butanamide HMS3323D08 ST50339730 AKOS000556545 MLS000888668 CHEMBL1403616 N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide MCULE-2465451403 ZINC4375071 BAS 03609872 N-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-butyramide HMS2166B08 AC1LCOYO MLS000030615 [ Show all ]
Inchi Key	AASTWJDSVIWDFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22F3N5O2S/c1-4-28-13(3)18(12(2)27-28)26-17(29)8-6-10-31-19-24-14(15-7-5-9-30-15)11-16(25-19)20(21,22)23/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,26,29)
PubChem CID	653690
ChEMBL	CHEMBL1403616
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
501	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
500	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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