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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, 12a
Molecular formula	C21H27N7O7
IUPAC name	N-[5-[2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight	489.489
Hydrogen bond acceptor	12
Hydrogen bond donor	8
XlogP	-1.1
Synonyms	N-[5-(2-{[2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)ethyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide BDBM25394 CHEMBL517259
Inchi Key	CFGOIPCVIXHOLU-BWZSZYTASA-N
Inchi ID	InChI=1S/C21H27N7O7/c29-7-15-17(33)18(34)21(35-15)28-9-26-16-19(24-8-25-20(16)28)23-4-3-22-6-14(32)11-1-2-13(31)12(5-11)27-10-30/h1-2,5,8-10,14-15,17-18,21-22,29,31-34H,3-4,6-7H2,(H,27,30)(H,23,24,25)/t14?,15-,17-,18-,21-/m1/s1
PubChem CID	25023948
ChEMBL	CHEMBL517259
IUPHAR	N/A
BindingDB	25394
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
40626	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
40625	Beta-2 adrenergic receptor	P04274	ADRB2	Mesocricetus auratus (Golden hamster)	418
459578	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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