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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	CHEMBL400330
Molecular formula	C24H29ClN6O5
IUPAC name	[(2R,3R,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methyl N-benzylcarbamate
Molecular weight	516.983
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.5
Synonyms	BDBM50224768 2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-N-benzylcarbamoyl-beta-D-ribofuranosyl)adenine
Inchi Key	BMRVDDGTZHJXLB-OVJGHYRJSA-N
Inchi ID	InChI=1S/C24H29ClN6O5/c1-24(34)18(32)16(12-35-23(33)26-11-14-7-3-2-4-8-14)36-21(24)31-13-27-17-19(28-15-9-5-6-10-15)29-22(25)30-20(17)31/h2-4,7-8,13,15-16,18,21,32,34H,5-6,9-12H2,1H3,(H,26,33)(H,28,29,30)/t16-,18-,21-,24-/m1/s1
PubChem CID	44447524
ChEMBL	CHEMBL400330
IUPHAR	N/A
BindingDB	50224768
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
27716	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
558102	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326

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