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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	CHEMBL300624
Molecular formula	C17H16FN5O
IUPAC name	4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol
Molecular weight	325.347
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.6
Synonyms	4-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-yl]-2-methyl-but-3-yn-2-ol BDBM50095778 SCHEMBL5973145 4-[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]-2-methyl-3-butyne-2-ol
Inchi Key	UWDBBNIVTAVDGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21)
PubChem CID	10616023
ChEMBL	CHEMBL300624
IUPHAR	N/A
BindingDB	50095778
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
347165	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
347164	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
347167	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
347168	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
347166	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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