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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	CHEMBL561976
Molecular formula	C16H15BrClN5O3
IUPAC name	(2R,3R,4R)-2-[6-[(3-bromophenyl)methylamino]-2-chloropurin-9-yl]oxolane-3,4-diol
Molecular weight	440.682
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.0
Synonyms	SCHEMBL3325028 (2R,3R,4R)-2-(2-Chloro-6-(3-bromobenzylamino)-9Hpurin-9-yl)-tetrahydrofuran-3,4-diol (2r,3r,4r)-2-(2-chloro-6-(3-bromobenzylamino)-9h-purin-9-yl)-tetrahydrofuran-3,4-diol BDBM50294668
Inchi Key	BMUNWGDQGOJGOE-IXPVHAAZSA-N
Inchi ID	InChI=1S/C16H15BrClN5O3/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1
PubChem CID	25003341
ChEMBL	CHEMBL561976
IUPHAR	N/A
BindingDB	50294668
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
27781	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
27780	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
27778	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
27779	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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