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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	CHEMBL513681
Molecular formula	C20H18N4O4S
IUPAC name	[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl N-thiophen-3-ylcarbamate
Molecular weight	410.448
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.3
Synonyms	[4-(2,3,4,5-Tetrahydro-1,3-dimethyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenyl]methyl thiophen-3-ylcarbamate BDBM50258672 SCHEMBL6505008
Inchi Key	CRYQUEMGJRNSNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26)
PubChem CID	44574165
ChEMBL	CHEMBL513681
IUPHAR	N/A
BindingDB	50258672
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
49258	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
49254	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
49256	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
49255	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
49257	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
49253	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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