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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	CHEMBL517017
Molecular formula	C24H32N7O8P
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[3-[4-(diethoxyphosphorylmethyl)anilino]-3-oxopropyl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	577.535
Hydrogen bond acceptor	12
Hydrogen bond donor	5
XlogP	-1.3
Synonyms	BDBM50262372 SCHEMBL13210999 4-[3-((2S,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)propylamido]benzylphosphonic acid diethyl ester
Inchi Key	AGCQOOFNTDUYSN-CMCWBKRRSA-N
Inchi ID	InChI=1S/C24H32N7O8P/c1-3-37-40(36,38-4-2)11-14-5-7-15(8-6-14)30-16(32)9-10-26-23(35)20-18(33)19(34)24(39-20)31-13-29-17-21(25)27-12-28-22(17)31/h5-8,12-13,18-20,24,33-34H,3-4,9-11H2,1-2H3,(H,26,35)(H,30,32)(H2,25,27,28)/t18-,19+,20-,24+/m0/s1
PubChem CID	24949230
ChEMBL	CHEMBL517017
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
4768	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377
4767	P2Y purinoceptor 4	P51582	P2RY4	Homo sapiens (Human)	365
4769	P2Y purinoceptor 6	Q63371	P2ry6	Rattus norvegicus (Rat)	328

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