BDBM50118242 ((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate::((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate::2-MeS-ADP::2-MeSADP::CHEMBL435402::[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=WLMZTKAZJUWXCB-KQYNXXCUSA-N

Data  1 KI  7 IC50  89 EC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 97 hits for monomerid = 50118242   

TargetP2Y purinoceptor 12(Homo sapiens (Human))
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataKi:  32nMAssay Description:Displacement of [3H]-2MesADP from recombinant human P2Y12 transfected in HEK cell membrane assessed as inhibition constantMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.58E+3nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(K280A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  25nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T222A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  378nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Q307A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  10nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S314T) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  12nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.90nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.52E+3nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(K280A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  323nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Q307A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.90nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  12nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  12nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Y136A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  103nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F131A) human P2Y1 receptor in presence of MRS2179 (P<0.05)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  53nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H132A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.27E+3nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(R310K) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  115nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H277A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  18nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H132A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  31nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S314T) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  13nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  324nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(R310K) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  19nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F131A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  20nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F226A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  11nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T222A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  36nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Y136A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  738nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H277A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  6nMAssay Description:Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  13nMAssay Description:Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-base...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  10.3nMAssay Description:Activation of human P2Y1 receptor expressed in human 1321N1 cells assessed as induction of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  4nMAssay Description:Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 2(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50: >1.00E+5nMAssay Description:Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Rattus norvegicus)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  100nMAssay Description:Activity against rat P2Y1-GFP transfected in HEK293 cells by intracellular calcium increaseMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  11nMAssay Description:Activity against human P2Y1-GFP expressed in 1321N1 cells by intracellular calcium increaseMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  27nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F226A) human P2Y1 receptor in presence of MRS2179.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  6nMAssay Description:Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  6.40nMAssay Description:Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  13nMAssay Description:Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  75nMAssay Description:Effective concentration required for the activation of human R287K mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataIC50:  22nMAssay Description:Inhibition concentration required against human Y273A mutant strain P2Y1 receptor expressed in COS-7 cells is determined using [3H]-MRS2279 as radiol...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  4.90nMAssay Description:Effective concentration required for the activation of human E209R mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  5.16E+3nMAssay Description:Effective concentration required for the activation of human C296A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  16nMAssay Description:Effective concentration required for the activation of human T221A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.48E+4nMAssay Description:Effective concentration required for the activation of human R287A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50: >1.00E+5nMAssay Description:Effective concentration required for the activation of human R287E mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  7.80nMAssay Description:Effective concentration required for the activation of human R212A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50: >1.00E+5nMAssay Description:Effective concentration required for the activation of human R128A mutant strain P2Y1 receptors expressed in COS-7 cells for the accumulation of inos...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.20nMAssay Description:Effective concentration required for the activation of wild-type P2Y1 receptors expressed in COS-7 cells for the accumulation of inositol phosphate i...More data for this Ligand-Target Pair
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