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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	CHEMBL2113613
Molecular formula	C19H21IN6O4
IUPAC name	(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight	524.319
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.3
Synonyms	5'-Ethylamino-N-(3-iodobenzyl)-5'-oxo-5'-deoxyadenosine BDBM50453539 DVCZFHQLDLXEIA-QCUYGVNKSA-N SCHEMBL16585410 Adenosine, N(6)-[3-iodobenzyl]-4'-[N-ethylcarbamoyl]-4'-dehydroxymethyl
Inchi Key	DVCZFHQLDLXEIA-QCUYGVNKSA-N
Inchi ID	InChI=1S/C19H21IN6O4/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	10481912
ChEMBL	CHEMBL2113613
IUPHAR	N/A
BindingDB	50453539
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
69807	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
69806	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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