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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	CHEMBL610112
Molecular formula	C23H25N9O8S
IUPAC name	(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfonylamino]phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight	587.568
Hydrogen bond acceptor	13
Hydrogen bond donor	6
XlogP	-0.6
Synonyms	BDBM50369388
Inchi Key	CYIFVQMMHGFZCJ-OFRRTHGGSA-N
Inchi ID	InChI=1S/C23H25N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)31-41(37,38)14-8-11(2)40-30-14/h4-10,16-18,22,31,33-34H,3H2,1-2H3,(H,24,35)(H2,25,26,28,29,36)/t16-,17+,18-,22?/m0/s1
PubChem CID	46875883
ChEMBL	CHEMBL610112
IUPHAR	N/A
BindingDB	50369388
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
53534	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
53532	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
53533	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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