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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	CHEMBL1097279
Molecular formula	C17H21Cl2F3N5O12P3S2-4
IUPAC name	[dichloro(phosphonato)methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxyphosphinate
Molecular weight	772.314
Hydrogen bond acceptor	21
Hydrogen bond donor	3
XlogP	-1.3
Synonyms	BDBM50318031 cangrelor(4-) 5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine cangrelor tetra-anion CHEBI:90843 cangrelor tetraanion [ Show all ]
Inchi Key	PAEBIVWUMLRPSK-IDTAVKCVSA-J
Inchi ID	InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/p-4/t8-,10-,11-,14-/m1/s1
PubChem CID	44310170
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50318031
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
254641	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342
254640	Uracil nucleotide/cysteinyl leukotriene receptor	Q13304	GPR17	Homo sapiens (Human)	367

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