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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	P2Y purinoceptor 1
Species	Rattus norvegicus (Rat)
Gene	P2ry1
Synonym	ATP receptor purinergic receptor P2Y Purinergic receptor platelet ADP receptor P2Y1 receptor P2Y1 P2Y purinoceptor 1 P2Y ATP receptor 1 P2 purinoceptor subtype Y1 Purinergic receptor P2Y1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	373
Amino acid sequence	MTEVPWSAVPNGTDAAFLAGLGSLWGNSTIASTAAVSSSFRCALIKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDVMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAIYVSVLVWLIVVVAISPILFYSGTGIRKNKTVTCYDSTSDEYLRSYFIYSMCTTVAMFCIPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPEMCDFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEEMTLNILSEFKQNGDTSL
UniProt	P49651
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2497
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	2-MeSADP
Molecular formula	C11H17N5O10P2S
IUPAC name	[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight	473.29
Hydrogen bond acceptor	15
Hydrogen bond donor	6
XlogP	-3.8
Synonyms	((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate 2-Mes-ADP AC1Q6S18 D0U7EQ [3H]2-methylthio-ADP 2-methylthio-ADP AKOS027379362 methylthio-ADP 2-(Methylthio)-Adenosinediphosphate 6AD CHEMBL435402 [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate ((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate Adenosine 5'-(trihydrogen diphosphate), 2-(methylthio)- GTPL1710 [3H]2MeSADP 2MeSADP BDBM50118242 SCHEMBL195864 2-(Methylthio)adenosine 5'-diphosphate AC1L3TRY D0BB0O [({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid (3H)2-Mes-ADP 2-methylthio-adenosine-5'-diphosphate adenosine, 2-(methylthio)-, 5'-(trihydrogen diphosphate) GTPL1763 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate) ZINC3995387 [ Show all ]
Inchi Key	WLMZTKAZJUWXCB-KQYNXXCUSA-N
Inchi ID	InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID	121990
ChEMBL	CHEMBL435402
IUPHAR	1710, 1763
BindingDB	50118242
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.

Experimental Data

Parameter	Value	Reference	Database source
EC50	100.0 nM	PMID16539385	BindingDB,ChEMBL

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