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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	CHEMBL98278
Molecular formula	C20H21N7O4
IUPAC name	(2R,3R,4S,5R)-2-[6-amino-2-(1-benzylpyrazol-4-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	423.433
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	0.5
Synonyms	BDBM50119148 SCHEMBL272515 (2R,3R,4S,5R)-2-[6-Amino-2-(1-benzyl-1H-pyrazol-4-yl)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Inchi Key	AMAIHVYPJNVOIU-KHTYJDQRSA-N
Inchi ID	InChI=1S/C20H21N7O4/c21-17-14-19(27(10-22-14)20-16(30)15(29)13(9-28)31-20)25-18(24-17)12-6-23-26(8-12)7-11-4-2-1-3-5-11/h1-6,8,10,13,15-16,20,28-30H,7,9H2,(H2,21,24,25)/t13-,15-,16-,20-/m1/s1
PubChem CID	9845174
ChEMBL	CHEMBL98278
IUPHAR	N/A
BindingDB	50119148
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
8700	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
8701	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
463931	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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