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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	CHEMBL48681
Molecular formula	C20H20FN5O
IUPAC name	1-[2-[6-amino-8-(4-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight	365.412
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.6
Synonyms	1-[6-Amino-8-(4-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol BDBM50095782 1-[[8-(4-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi Key	MVAHZZBJHMCLKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20FN5O/c1-26-18(13-5-7-14(21)8-6-13)25-16-17(22)23-15(24-19(16)26)9-12-20(27)10-3-2-4-11-20/h5-8,27H,2-4,10-11H2,1H3,(H2,22,23,24)
PubChem CID	11793210
ChEMBL	CHEMBL48681
IUPHAR	N/A
BindingDB	50095782
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
214824	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
214825	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332

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