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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	P2Y purinoceptor 1
Species	Homo sapiens (Human)
Gene	P2RY1
Synonym	ATP receptor Purinergic receptor P2Y1 purinergic receptor P2Y Purinergic receptor platelet ADP receptor P2Y1 receptor P2Y1 P2Y purinoceptor 1 P2Y ATP receptor 1 ADP receptor {ECO:0000303\|PubMed:9038354} P2 purinoceptor subtype Y1 [ Show all ]
Disease	Thrombosis
Length	373
Amino acid sequence	MTEVLWPAVPNGTDAAFLAGPGSSWGNSTVASTAAVSSSFKCALTKTGFQFYYLPAVYILVFIIGFLGNSVAIWMFVFHMKPWSGISVYMFNLALADFLYVLTLPALIFYYFNKTDWIFGDAMCKLQRFIFHVNLYGSILFLTCISAHRYSGVVYPLKSLGRLKKKNAICISVLVWLIVVVAISPILFYSGTGVRKNKTITCYDTTSDEYLRSYFIYSMCTTVAMFCVPLVLILGCYGLIVRALIYKDLDNSPLRRKSIYLVIIVLTVFAVSYIPFHVMKTMNLRARLDFQTPAMCAFNDRVYATYQVTRGLASLNSCVDPILYFLAGDTFRRRLSRATRKASRRSEANLQSKSEDMTLNILPEFKQNGDTSL
UniProt	P47900
Protein Data Bank	4xnv, 4xnw
GPCR-HGmod model	P47900
3D structure model	This structure is from PDB ID 4xnv.
BioLiP	BL0311594,BL0311596, BL0311593, BL0311590,BL0311591,BL0311592, BL0311589, BL0311588, BL0311595,BL0311597
Therapeutic Target Database	T67818
ChEMBL	CHEMBL4315
IUPHAR	323
DrugBank	N/A

Ligand

Name	2-Mesatp
Molecular formula	C11H18N5O13P3S
IUPAC name	[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight	553.268
Hydrogen bond acceptor	18
Hydrogen bond donor	7
XlogP	-4.9
Synonyms	CTK7B5306 ZINC3995334 2-Methyl-thio-ATP AKOS027379934 GTPL1711 2-(methylthio) adenosine 5'-triphosphate 2-methylthio-adenosine-5'-triphosphate 2MeSATP UNII-Y37441OBL1 2-(METHYLTHIO)ADENOSINE-5'-TRIPHOSPHATE 6AT D0U1OJ [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate 2-Methylthio ATP ATP, 2-meS NCGC00163310-01 2-(Methylthio)-Adenosinetriphosphate 2-Methylthio-ATP 43170-89-4 CHEMBL336208 Y37441OBL1 AC1NSJRQ DTXSID6037146 [[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) 2-Methylthio ATP tetrasodium 2-methylthioadenosine 5'-triphosphate BDBM50118232 SCHEMBL375601 2-(methylthio)adenosine 5'-(tetrahydrogen triphosphate) [ Show all ]
Inchi Key	XNOBOKJVOTYSJV-KQYNXXCUSA-N
Inchi ID	InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID	5310983
ChEMBL	CHEMBL336208
IUPHAR	1711
BindingDB	50118232
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. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	34.0 nM	PMID11985476	BindingDB,ChEMBL
IC50	25.1189 - 398.107 nM	PMID9154346, PMID12391289	IUPHAR
Ki	6309.58 nM	PMID9547364	IUPHAR

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