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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	CHEMBL2113562
Molecular formula	C19H22IN7O4
IUPAC name	(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-2-(methylamino)purin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight	539.334
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	1.2
Synonyms	BDBM50453443 N-(3-Iodobenzyl)-2,5'-bis(methylamino)-5'-oxo-5'-deoxyadenosine
Inchi Key	BIODKXDSJHUVJY-MOROJQBDSA-N
Inchi ID	InChI=1S/C19H22IN7O4/c1-21-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(22-2)26-16(11)27)23-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,21,30)(H2,22,23,25,26)/t12-,13+,14-,18+/m0/s1
PubChem CID	9958896
ChEMBL	CHEMBL2113562
IUPHAR	N/A
BindingDB	50453443
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
24606	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
24605	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
24604	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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