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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	CHEMBL2064639
Molecular formula	C22H21FN6O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(4-fluorophenyl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	436.447
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.1
Synonyms	BDBM50389134 SCHEMBL10322205
Inchi Key	BOPCWLMOUKGQSO-QKWCYAJMSA-N
Inchi ID	InChI=1S/C22H21FN6O3/c1-24-19-15-20(28-14(27-19)8-5-11-3-6-12(23)7-4-11)29(10-26-15)16-13-9-22(13,21(32)25-2)18(31)17(16)30/h3-4,6-7,10,13,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t13-,16-,17+,18+,22+/m1/s1
PubChem CID	57523653
ChEMBL	CHEMBL2064639
IUPHAR	N/A
BindingDB	50389134
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
29003	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
442800	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
29002	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
442798	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
29001	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
442799	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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