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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	CHEMBL3679380
Molecular formula	C22H26IN5O5
IUPAC name	(2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2S)-2-[(3-iodophenyl)methoxy]cyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	567.384
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.6
Synonyms	US8501708, 21 BDBM99201 SCHEMBL12193008
Inchi Key	HZBFCOYWEGAJGZ-XCUHZOMWSA-N
Inchi ID	InChI=1S/C22H26IN5O5/c23-13-4-1-3-12(7-13)9-32-15-6-2-5-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h1,3-4,7,10-11,14-16,18-19,22,29-31H,2,5-6,8-9H2,(H,24,25,27)/t14?,15-,16+,18+,19+,22?/m0/s1
PubChem CID	58455971
ChEMBL	CHEMBL3679380
IUPHAR	N/A
BindingDB	99201
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
127526	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
539198	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
127527	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319

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