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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	CHEMBL98453
Molecular formula	C31H25Br2F3N4O4S2
IUPAC name	2,5-dibromo-N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylthiophene-3-carboxamide
Molecular weight	798.488
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	8.6
Synonyms	4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,5-dibromo-thiophene-3-carbonyl)-amide BDBM50039852
Inchi Key	CQHRAIJPPWOOSU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H25Br2F3N4O4S2/c1-2-3-12-27-37-40(24-10-6-5-9-23(24)31(34,35)36)30(42)39(27)18-19-13-15-20(16-14-19)21-8-4-7-11-25(21)46(43,44)38-29(41)22-17-26(32)45-28(22)33/h4-11,13-17H,2-3,12,18H2,1H3,(H,38,41)
PubChem CID	10350378
ChEMBL	CHEMBL98453
IUPHAR	N/A
BindingDB	50039852
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
48093	Type-1 angiotensin II receptor	P34976	AGTR1	Oryctolagus cuniculus (Rabbit)	359
48094	Type-2 angiotensin II receptor	P35351	Agtr2	Rattus norvegicus (Rat)	363

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