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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	CHEMBL218326
Molecular formula	C18H19N9O4
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(4-pyridin-2-yltriazol-1-yl)purin-9-yl]oxolane-3,4-diol
Molecular weight	425.409
Hydrogen bond acceptor	11
Hydrogen bond donor	4
XlogP	-0.9
Synonyms	BDBM50199968 CTK3I1597 Adenosine, N-methyl-2-[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]- N6-methyl-2-[4-pyridin-2-yl-1,2,3-triazol-1-yl]-9-(beta-D-ribofuranosyl)adenine DTXSID00582396 AKOS030575561 906670-52-8 N-Methyl-2-[4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl]adenosine [ Show all ]
Inchi Key	BFNBQDWOBYWSKD-LSCFUAHRSA-N
Inchi ID	InChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1
PubChem CID	16094549
ChEMBL	CHEMBL218326
IUPHAR	N/A
BindingDB	50199968
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
22452	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
22450	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
22451	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
22453	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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