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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	CHEMBL52276
Molecular formula	C21H20F3N5O
IUPAC name	1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight	415.42
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.4
Synonyms	1-[6-Amino-9-methyl-8-(3-trifluoromethyl-phenyl)-9H-purin-2-ylethynyl]-cyclohexanol BDBM50095785 1-[[8-[3-(Trifluoromethyl)phenyl]-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi Key	FMTIKYIJMCQZIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20F3N5O/c1-29-18(13-6-5-7-14(12-13)21(22,23)24)28-16-17(25)26-15(27-19(16)29)8-11-20(30)9-3-2-4-10-20/h5-7,12,30H,2-4,9-10H2,1H3,(H2,25,26,27)
PubChem CID	10621771
ChEMBL	CHEMBL52276
IUPHAR	N/A
BindingDB	50095785
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
82247	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
82248	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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