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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	CHEMBL344187
Molecular formula	C19H19IN6O4
IUPAC name	(2R,3R,4S,5S)-3,4-dihydroxy-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-1-oxa-7-azaspiro[4.4]nonan-6-one
Molecular weight	522.303
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.3
Synonyms	(2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one BDBM50118803 3,4-Dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one
Inchi Key	GFHAZFGYXHKHAK-AHMDFLBRSA-N
Inchi ID	InChI=1S/C19H19IN6O4/c20-11-3-1-2-10(6-11)7-22-15-12-16(24-8-23-15)26(9-25-12)17-13(27)14(28)19(30-17)4-5-21-18(19)29/h1-3,6,8-9,13-14,17,27-28H,4-5,7H2,(H,21,29)(H,22,23,24)/t13-,14+,17-,19+/m1/s1
PubChem CID	11027743
ChEMBL	CHEMBL344187
IUPHAR	N/A
BindingDB	50118803
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
95075	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
95072	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
95073	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
95074	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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