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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	SMR000018340
Molecular formula	C20H18F3N7OS2
IUPAC name	2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Molecular weight	493.527
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.6
Synonyms	2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide BDBM37497 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide HMS2239B10 AC1NSIVF MLS000102590 2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide CHEMBL1508348 ZINC6549849 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide HMS3367K16 AKOS001828427 MolPort-007-646-617 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide cid_5310414 MCULE-8109307970 [ Show all ]
Inchi Key	AAMKTOXFXJBWPT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18F3N7OS2/c1-12-25-27-18(33-12)24-17(31)11-32-19-28-26-16(10-14-7-4-8-29(14)2)30(19)15-6-3-5-13(9-15)20(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27,31)
PubChem CID	5310414
ChEMBL	N/A
IUPHAR	N/A
BindingDB	37497
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
331	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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