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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	CHEMBL428716
Molecular formula	C22H29N7O6
IUPAC name	ethyl 1-[6-(cyclohexylamino)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate
Molecular weight	487.517
Hydrogen bond acceptor	11
Hydrogen bond donor	4
XlogP	1.1
Synonyms	BDBM50196554 ethyl 1-(6-(cyclohexylamino)-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate
Inchi Key	AFCSGZQBWPLSJY-WVSUBDOOSA-N
Inchi ID	InChI=1S/C22H29N7O6/c1-2-34-21(33)12-8-24-29(9-12)22-26-18(25-13-6-4-3-5-7-13)15-19(27-22)28(11-23-15)20-17(32)16(31)14(10-30)35-20/h8-9,11,13-14,16-17,20,30-32H,2-7,10H2,1H3,(H,25,26,27)/t14-,16-,17-,20-/m1/s1
PubChem CID	11978310
ChEMBL	CHEMBL428716
IUPHAR	N/A
BindingDB	50196554
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
4042	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
4041	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
4040	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
4043	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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