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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	CHEMBL2064645
Molecular formula	C22H20F2N6O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(3,4-difluorophenyl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	454.438
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	1.2
Synonyms	BDBM50389125 SCHEMBL10321685
Inchi Key	COVMIZBBIXKPJU-FJHPWZMNSA-N
Inchi ID	InChI=1S/C22H20F2N6O3/c1-25-19-15-20(29-14(28-19)6-4-10-3-5-12(23)13(24)7-10)30(9-27-15)16-11-8-22(11,21(33)26-2)18(32)17(16)31/h3,5,7,9,11,16-18,31-32H,8H2,1-2H3,(H,26,33)(H,25,28,29)/t11-,16-,17+,18+,22+/m1/s1
PubChem CID	57523687
ChEMBL	CHEMBL2064645
IUPHAR	N/A
BindingDB	50389125
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
443539	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
47030	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
443538	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
443540	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319

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