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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	CHEMBL297685
Molecular formula	C19H18FN5O
IUPAC name	1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol
Molecular weight	351.385
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.1
Synonyms	1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl]-1-cyclopentanol 1-{2-(6-Amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol BDBM50095790 1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanol LPAMCBPWGRTOCP-UHFFFAOYSA-N 1-{2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol 1-[[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclopentanol SCHEMBL5973197 [ Show all ]
Inchi Key	LPAMCBPWGRTOCP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18FN5O/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23)
PubChem CID	9841364
ChEMBL	CHEMBL297685
IUPHAR	N/A
BindingDB	50095790
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
192877	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
192878	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
192880	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
192881	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
192879	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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