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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	Bivalent derivative, 12d
Molecular formula	C22H31N7O6
IUPAC name	(2R,3R,4S,5R)-2-[6-[4-[[2-(3-amino-4-hydroxyphenyl)-2-hydroxyethyl]amino]butylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	489.533
Hydrogen bond acceptor	12
Hydrogen bond donor	8
XlogP	-0.3
Synonyms	(2R,3R,4S,5R)-2-{6-[(4-{[2-(3-amino-4-hydroxyphenyl)-2-hydroxyethyl]amino}butyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol BDBM25397 CHEMBL462274
Inchi Key	GOLWWZBJPUAEDB-SYDIUPFYSA-N
Inchi ID	InChI=1S/C22H31N7O6/c23-13-7-12(3-4-14(13)31)15(32)8-24-5-1-2-6-25-20-17-21(27-10-26-20)29(11-28-17)22-19(34)18(33)16(9-30)35-22/h3-4,7,10-11,15-16,18-19,22,24,30-34H,1-2,5-6,8-9,23H2,(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1
PubChem CID	25023951
ChEMBL	CHEMBL462274
IUPHAR	N/A
BindingDB	25397
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor.

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
101332	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
101331	Beta-2 adrenergic receptor	P04274	ADRB2	Mesocricetus auratus (Golden hamster)	418
460123	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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