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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	CHEMBL71613
Molecular formula	C29H39N7O
IUPAC name	5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one
Molecular weight	501.679
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.7
Synonyms	4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(3,5,5-trimethylhexyl)-5-butyl-2H-1,2,4-triazol-3(4H)-one BDBM50044336 SCHEMBL7392511 5-Butyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-(3,5,5-trimethyl-hexyl)-2,4-dihydro-[1,2,4]triazol-3-one
Inchi Key	DVRJARPEZUOMAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H39N7O/c1-6-7-12-26-32-36(18-17-21(2)19-29(3,4)5)28(37)35(26)20-22-13-15-23(16-14-22)24-10-8-9-11-25(24)27-30-33-34-31-27/h8-11,13-16,21H,6-7,12,17-20H2,1-5H3,(H,30,31,33,34)
PubChem CID	14951061
ChEMBL	CHEMBL71613
IUPHAR	N/A
BindingDB	50044336
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
70153	Type-1B angiotensin II receptor	P29089	Agtr1b	Rattus norvegicus (Rat)	359

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