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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	BDBM50119134
Molecular formula	C17H25N7O4
IUPAC name	(2R,3R,4S,5R)-2-[6-amino-2-(cyclohexylmethyldiazenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	391.432
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	1.7
Synonyms	(2R,3R,4S,5R)-2-(6-Amino-2-{N''-[1-cyclohexyl-meth-(Z)-ylidene]-hydrazino}-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol BDBM50364045
Inchi Key	FLKLBEIFDXKPBA-XNIJJKJLSA-N
Inchi ID	InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h8-10,12-13,16,25-27H,1-7H2,(H2,18,21,22)/t10-,12-,13-,16-/m1/s1
PubChem CID	56618357
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50119134, 50364045
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
81304	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
81305	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
81308	Adenosine receptor A1	P47745	ADORA1	Cavia porcellus (Guinea pig)	326
81306	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
81307	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
81303	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
81309	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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