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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	CHEMBL2113565
Molecular formula	C19H21ClN6O4
IUPAC name	(2S,3S,4R,5R)-5-[6-[(3-chlorophenyl)methylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	432.865
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.2
Synonyms	Adenosine, 4'-dehydroxymethyl-4'-[N-ethylaminoformyl]-N-[3-chlorobenzyl]- 5'-Ethylamino-N-(3-chlorobenzyl)-5'-oxo-5'-deoxyadenosine BDBM50453546 DRYOMODYNGMXFC-QCUYGVNKSA-N
Inchi Key	DRYOMODYNGMXFC-QCUYGVNKSA-N
Inchi ID	InChI=1S/C19H21ClN6O4/c1-2-21-18(29)15-13(27)14(28)19(30-15)26-9-25-12-16(23-8-24-17(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-15,19,27-28H,2,7H2,1H3,(H,21,29)(H,22,23,24)/t13-,14+,15-,19+/m0/s1
PubChem CID	10071499
ChEMBL	CHEMBL2113565
IUPHAR	N/A
BindingDB	50453546
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
67381	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
67382	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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