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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	CHEMBL439976
Molecular formula	C18H19ClIN7O2
IUPAC name	(2S,4S,5R)-4-amino-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide
Molecular weight	527.751
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.0
Synonyms	9-[3beta-Amino-5beta-(methylcarbamoyl)tetrahydrofuran-2beta-yl]-N-(3-iodobenzyl)-2-chloro-9H-purine-6-amine 4-Amino-5-[2-chloro-6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-2-carboxylic acid methylamide BDBM50106542
Inchi Key	BJVZKVDNIYWWSB-NVGCLXPQSA-N
Inchi ID	InChI=1S/C18H19ClIN7O2/c1-22-16(28)12-6-11(21)17(29-12)27-8-24-13-14(25-18(19)26-15(13)27)23-7-9-3-2-4-10(20)5-9/h2-5,8,11-12,17H,6-7,21H2,1H3,(H,22,28)(H,23,25,26)/t11-,12-,17+/m0/s1
PubChem CID	10482029
ChEMBL	CHEMBL439976
IUPHAR	N/A
BindingDB	50106542
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
25508	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
25507	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
25509	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
442675	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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