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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	CHEMBL129841
Molecular formula	C11H17N5O9P2
IUPAC name	[(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight	425.231
Hydrogen bond acceptor	13
Hydrogen bond donor	5
XlogP	-2.9
Synonyms	CHEMBL1096400 MRS 2179 ammonium salt ZINC3985980 diammonium (2R,3S,5R)-2-[(hydrogen phosphonatooxy)methyl]-5-[6-(methylamino)-9H-purin-9-yl]oxolan-3-yl hydrogen phosphate BDBM50118229 MolPort-044-562-030 n6-methyl-2'-deoxyadenosine-3',5'-bisphosphate [(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate J-000339 BDBM50318029 MRS 2179 101204-49-3 SCHEMBL134008 AC1NSKEB Lopac0_000756 [ Show all ]
Inchi Key	CCPLITQNIFLYQB-XLPZGREQSA-N
Inchi ID	InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
PubChem CID	5311303
ChEMBL	CHEMBL129841
IUPHAR	N/A
BindingDB	50118229, 50318029
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
38811	P2Y purinoceptor 1	P47900	P2RY1	Homo sapiens (Human)	373
38812	P2Y purinoceptor 1	P49652	P2RY1	Meleagris gallopavo (Wild turkey)	362
38815	P2Y purinoceptor 12	Q9EPX4	P2ry12	Rattus norvegicus (Rat)	343
38813	P2Y purinoceptor 2	P41231	P2RY2	Homo sapiens (Human)	377
38814	P2Y purinoceptor 4	P51582	P2RY4	Homo sapiens (Human)	365
38816	P2Y purinoceptor 6	Q15077	P2RY6	Homo sapiens (Human)	328
38817	Uracil nucleotide/cysteinyl leukotriene receptor	Q13304	GPR17	Homo sapiens (Human)	367

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