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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 12
Species	Rattus norvegicus (Rat)
Gene	P2ry12
Synonym	purinergic receptor P2Y P2YADP P2Y12 receptor P2Y12 platelet ADP receptor P2Y12 P2Y purinoceptor 12 HORK3 SP1999 [ Show all ]
Disease	N/A for non-human GPCRs
Length	343
Amino acid sequence	MEVPGANATSANTTSIPGTSTLCSRDYKITQVLFPLLYTVLFFAGLITNSLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGAGHLRTLVCQVTSVTFYFTMYISISFLGLITIDRYLKTTRPFKTSSPSNLLGAKILSVAIWAFMFLLSLPNMILTNRRPKDKDITKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYSLITKELYRSYVRTRGSAKAPKKRVNIKVFIIIAVFFICFVPFHFARIPYTLSQTRAVFDCNAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLMSMLRCSTSGANKKKGQEGGDPSEETPM
UniProt	Q9EPX4
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	CHEMBL2188
IUPHAR	N/A
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	1.1 nM	PMID12213051	BindingDB,ChEMBL

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