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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	CHEMBL444550
Molecular formula	C18H20IN5O4
IUPAC name	(2R,3R,4R,5R)-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-3-methyloxolane-3,4-diol
Molecular weight	497.293
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.1
Synonyms	205171-07-9 Adenosine, N-[(3-iodophenyl)methyl]-2'-C-methyl- 5-Hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-3-methyl-tetrahydro-furan-3,4-diol BDBM50162479 N-(3-Iodobenzyl)-2'-methyladenosine
Inchi Key	FZQBZRYTXUBBLO-AXYPVASZSA-N
Inchi ID	InChI=1S/C18H20IN5O4/c1-18(27)14(26)12(7-25)28-17(18)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)/t12-,14-,17-,18-/m1/s1
PubChem CID	10767601
ChEMBL	CHEMBL444550
IUPHAR	N/A
BindingDB	50162479
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
91188	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
91189	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
91190	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
445343	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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