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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	CHEMBL515442
Molecular formula	C19H20ClIN6O5
IUPAC name	[(2R,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl N-methylcarbamate
Molecular weight	574.76
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	1.7
Synonyms	2-chloro-N6-(3-iodobenzyl)-5''-N-methylcarbamoyladenosine BDBM50293031 SCHEMBL5579452 2-chloro-N6-(3-iodobenzyl)adenosine-5''-N-methylcarboxamide
Inchi Key	ACWHBXMNFZBKMU-LSCFUAHRSA-N
Inchi ID	InChI=1S/C19H20ClIN6O5/c1-22-19(30)31-7-11-13(28)14(29)17(32-11)27-8-24-12-15(25-18(20)26-16(12)27)23-6-9-3-2-4-10(21)5-9/h2-5,8,11,13-14,17,28-29H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,13-,14-,17-/m1/s1
PubChem CID	44563977
ChEMBL	CHEMBL515442
IUPHAR	N/A
BindingDB	50293031
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
1990	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
1992	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
1991	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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