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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	CHEMBL296389
Molecular formula	C21H22FN5O
IUPAC name	1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cycloheptan-1-ol
Molecular weight	379.439
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.2
Synonyms	1-[[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cycloheptanol 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cycloheptanol BDBM50095781
Inchi Key	WGYABTABLJZAOC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22FN5O/c1-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-2-3-5-11-21/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25)
PubChem CID	10691124
ChEMBL	CHEMBL296389
IUPHAR	N/A
BindingDB	50095781
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
373070	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
373072	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
373071	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
373073	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332

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