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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	CHEMBL168892
Molecular formula	C16H14BrN3O
IUPAC name	5-[(3-bromophenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole
Molecular weight	344.212
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.3
Synonyms	3-(3-Bromo-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole BDBM50139719 3-(3-Bromobenzyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole
Inchi Key	AMTQODPEYYUGIN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H14BrN3O/c1-21-14-7-3-5-12(10-14)16-18-15(19-20-16)9-11-4-2-6-13(17)8-11/h2-8,10H,9H2,1H3,(H,18,19,20)
PubChem CID	44379847
ChEMBL	CHEMBL168892
IUPHAR	N/A
BindingDB	50139719
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
9250	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
9248	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
9249	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410

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