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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	CHEMBL2113640
Molecular formula	C20H24IN7O4
IUPAC name	(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-2-(methylamino)purin-9-yl]-N,3-dimethyloxolane-2-carboxamide
Molecular weight	553.361
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	1.4
Synonyms	BDBM50410287
Inchi Key	BCBWBWYAEYYGGB-LOSGSANQSA-N
Inchi ID	InChI=1S/C20H24IN7O4/c1-20(31)13(29)18(32-14(20)17(30)22-2)28-9-25-12-15(26-19(23-3)27-16(12)28)24-8-10-5-4-6-11(21)7-10/h4-7,9,13-14,18,29,31H,8H2,1-3H3,(H,22,30)(H2,23,24,26,27)/t13-,14+,18+,20-/m0/s1
PubChem CID	11353406
ChEMBL	CHEMBL2113640
IUPHAR	N/A
BindingDB	50410287
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
20024	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
20025	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
442446	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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