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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	CHEMBL49925
Molecular formula	C21H20N6O
IUPAC name	3-[6-amino-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-methylpurin-8-yl]benzonitrile
Molecular weight	372.432
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.2
Synonyms	1-[[8-(3-Cyanophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol BDBM50095787 3-[6-Amino-2-(1-hydroxy-cyclohexylethynyl)-9-methyl-9H-purin-8-yl]-benzonitrile
Inchi Key	KEDWXTLTOUMRQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N6O/c1-27-19(15-7-5-6-14(12-15)13-22)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-3-2-4-10-21/h5-7,12,28H,2-4,9-10H2,1H3,(H2,23,24,25)
PubChem CID	10761800
ChEMBL	CHEMBL49925
IUPHAR	N/A
BindingDB	50095787
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
166967	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
166966	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
166968	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
166969	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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