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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	AC1NU9TY
Molecular formula	C13H12N4O3
IUPAC name	8-(4-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
Molecular weight	272.264
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.8
Synonyms	85872-69-1 MCULE-6860161624 STL055379 1,3-dimethyl-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-7,9-dihydropurine-2,6-dione AKOS015969762 PDSP1_000312 8-(4-hydroxyphenyl)theophylline CHEMBL27047 PDSP2_001119 MolPort-000-765-299 ZINC529763 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate BDBM82012 PDSP1_001135 DTXSID30419969 SCHEMBL10723936 AKOS005708359 NPC-189 8-(4-Hydroxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione PDSP2_000310 [ Show all ]
Inchi Key	YGBHMJNRSBKDLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N4O3/c1-16-11-9(12(19)17(2)13(16)20)14-10(15-11)7-3-5-8(18)6-4-7/h3-6,18H,1-2H3,(H,14,15)
PubChem CID	935972
ChEMBL	CHEMBL27047
IUPHAR	N/A
BindingDB	82012
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
569997	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
569999	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
569998	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
570001	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
570000	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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