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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	CHEMBL2181972
Molecular formula	C12H14N6O4
IUPAC name	9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)purine-2-carbonitrile
Molecular weight	306.282
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	-0.3
Synonyms	750644-43-0 2-cyano-N6-methyl adenosine BDBM50397726
Inchi Key	CFDILUOQELMYMS-JJNLEZRASA-N
Inchi ID	InChI=1S/C12H14N6O4/c1-14-10-7-11(17-6(2-13)16-10)18(4-15-7)12-9(21)8(20)5(3-19)22-12/h4-5,8-9,12,19-21H,3H2,1H3,(H,14,16,17)/t5-,8-,9-,12-/m1/s1
PubChem CID	10063737
ChEMBL	CHEMBL2181972
IUPHAR	N/A
BindingDB	50397726
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
40530	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
40532	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
40531	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
443288	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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