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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	CHEMBL50051
Molecular formula	C18H19N5O2
IUPAC name	1-[2-[6-amino-8-(furan-2-yl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight	337.383
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.6
Synonyms	1-(6-Amino-8-furan-2-yl-9-methyl-9H-purin-2-ylethynyl)-cyclohexanol BDBM50095786 SCHEMBL6941275 1-[[8-(2-Furyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi Key	PGKBTOTUGNMPMG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N5O2/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3,(H2,19,20,21)
PubChem CID	10544916
ChEMBL	CHEMBL50051
IUPHAR	N/A
BindingDB	50095786
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
259116	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
259117	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
259114	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
259115	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332

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