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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	CHEMBL94582
Molecular formula	C27H24ClF3N4O4S
IUPAC name	N-[2-[4-[[3-butyl-1-(2-chlorophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
Molecular weight	593.018
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50039891 SCHEMBL9141854 4''-[3-Butyl-1-(2-chloro-phenyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,2,2-trifluoro-acetyl)-amide ACIJKSZKWJVCPE-UHFFFAOYSA-N 5-n-Butyl-2-(2-chlorophenyl)-2,4-dihydro-4-[[2'-[N-(trifluoroacetyl)sulfamoyl]biphenyl-4-yl]methyl]-3H-1,2,4-triazol-3-one
Inchi Key	ACIJKSZKWJVCPE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H24ClF3N4O4S/c1-2-3-12-24-32-35(22-10-6-5-9-21(22)28)26(37)34(24)17-18-13-15-19(16-14-18)20-8-4-7-11-23(20)40(38,39)33-25(36)27(29,30)31/h4-11,13-16H,2-3,12,17H2,1H3,(H,33,36)
PubChem CID	10054188
ChEMBL	CHEMBL94582
IUPHAR	N/A
BindingDB	50039891
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
1609	Type-1 angiotensin II receptor	P34976	AGTR1	Oryctolagus cuniculus (Rabbit)	359
1608	Type-2 angiotensin II receptor	P35351	Agtr2	Rattus norvegicus (Rat)	363

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