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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	CHEMBL2113702
Molecular formula	C13H11ClIN5
IUPAC name	2-chloro-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine
Molecular weight	399.62
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	2-Chloro-N6 -(3-Iodobenzyl)-9-Methyladenine BDBM50453672 N-(3-Iodobenzyl)-2-chloro-9-methyl-9H-purin-6-amine SCHEMBL448405 ATOXAERIKXFYQV-UHFFFAOYSA-N
Inchi Key	ATOXAERIKXFYQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H11ClIN5/c1-20-7-17-10-11(18-13(14)19-12(10)20)16-6-8-3-2-4-9(15)5-8/h2-5,7H,6H2,1H3,(H,16,18,19)
PubChem CID	10340909
ChEMBL	CHEMBL2113702
IUPHAR	N/A
BindingDB	50453672
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
14167	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
14166	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
14168	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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