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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	CHEMBL424433
Molecular formula	C15H20N4O4
IUPAC name	tert-butyl (E)-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)prop-2-enoate
Molecular weight	320.349
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	0.9
Synonyms	AJUDZDYYJWKDLW-BQYQJAHWSA-N (8E)-1,2,3,6-Tetrahydro-1,3,7-trimethyl-2,6-dioxo-7H-purine-8-acrylic acid tert-butyl ester 8-(trans-2-tert-Butyloxycarbonylvinyl)-1,3,7-trimethylxanthine BDBM50045343 J3.623.955G 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid tert-butyl ester 8-[(E)-3-tert-Butoxy-3-oxo-1-propenyl]-1,3,7-trimethylxanthine SCHEMBL7402268 [ Show all ]
Inchi Key	AJUDZDYYJWKDLW-BQYQJAHWSA-N
Inchi ID	InChI=1S/C15H20N4O4/c1-15(2,3)23-10(20)8-7-9-16-12-11(17(9)4)13(21)19(6)14(22)18(12)5/h7-8H,1-6H3/b8-7+
PubChem CID	44322635
ChEMBL	CHEMBL424433
IUPHAR	N/A
BindingDB	50045343
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
7228	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
7229	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410

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