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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	CHEMBL374645
Molecular formula	C16H23N9O4
IUPAC name	(2R,3R,4S,5R)-2-[2-[4-[(dimethylamino)methyl]triazol-1-yl]-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	405.419
Hydrogen bond acceptor	11
Hydrogen bond donor	4
XlogP	-0.8
Synonyms	BDBM50199980 2-(4-dimethylaminomethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-D-ribofuranosyl)adenine
Inchi Key	CRKZMZSQJYBAJR-SDBHATRESA-N
Inchi ID	InChI=1S/C16H23N9O4/c1-17-13-10-14(20-16(19-13)25-5-8(21-22-25)4-23(2)3)24(7-18-10)15-12(28)11(27)9(6-26)29-15/h5,7,9,11-12,15,26-28H,4,6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
PubChem CID	16094548
ChEMBL	CHEMBL374645
IUPHAR	N/A
BindingDB	50199980
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
48879	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
48878	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
48877	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
48880	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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