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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	CHEMBL2113704
Molecular formula	C16H15IN6
IUPAC name	4-[6-[(3-iodophenyl)methylamino]purin-9-yl]butanenitrile
Molecular weight	418.242
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.7
Synonyms	APXSDGLADFOEDD-UHFFFAOYSA-N BDBM50453677 N6 -(3-Iodobenzyl)-9-(3-Cyanopropyl)adenine 6-[(3-Iodobenzyl)amino]-9H-purine-9-butanenitrile
Inchi Key	APXSDGLADFOEDD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15IN6/c17-13-5-3-4-12(8-13)9-19-15-14-16(21-10-20-15)23(11-22-14)7-2-1-6-18/h3-5,8,10-11H,1-2,7,9H2,(H,19,20,21)
PubChem CID	10024998
ChEMBL	CHEMBL2113704
IUPHAR	N/A
BindingDB	50453677
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
11440	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
11439	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
11438	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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