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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	CHEMBL612203
Molecular formula	C30H40N8O6S
IUPAC name	(2S,3S,4R)-5-[6-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	640.76
Hydrogen bond acceptor	12
Hydrogen bond donor	5
XlogP	2.6
Synonyms	BDBM50366541
Inchi Key	CJDPJPUVKHWZHU-FUFUOGOSSA-N
Inchi ID	InChI=1S/C30H40N8O6S/c1-4-31-29(41)26-24(39)25(40)30(44-26)38-18-35-23-27(33-17-34-28(23)38)32-15-7-5-6-8-16-36-45(42,43)22-14-10-11-19-20(22)12-9-13-21(19)37(2)3/h9-14,17-18,24-26,30,36,39-40H,4-8,15-16H2,1-3H3,(H,31,41)(H,32,33,34)/t24-,25+,26-,30?/m0/s1
PubChem CID	46875994
ChEMBL	CHEMBL612203
IUPHAR	N/A
BindingDB	50366541
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
43246	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
43247	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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