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Compile Data Set for Download or QSAR

Found 183 hits Enz. Inhib. hit(s) with all data for entry = 50018672   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611046
PNG
(CHEMBL5290005)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
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Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610996
PNG
(CHEMBL5271652)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(NC(C)C(O)=O)c1C#N
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611048
PNG
(BAY-091)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
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Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611047
PNG
(CHEMBL5277824)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(N)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611049
PNG
(CHEMBL5280127)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(O)=O |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611013
PNG
(CHEMBL5288492)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(=O)(=O)C2CC2)c1C#N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611020
PNG
(CHEMBL5282226)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1F)C(N)=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611012
PNG
(CHEMBL5284796)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(C)(=O)=O)c1C#N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611023
PNG
(CHEMBL5273876)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1OC)C(N)=O |r|
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n/an/a 42n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611043
PNG
(CHEMBL5272762)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(F)cc1OC)C(N)=O |r|
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n/an/a 47n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610996
PNG
(CHEMBL5271652)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(NC(C)C(O)=O)c1C#N
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611033
PNG
(CHEMBL5265849)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1)C(N)=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610998
PNG
(CHEMBL5274835)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(Br)cc1)C(O)=O |r|
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611046
PNG
(CHEMBL5290005)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611047
PNG
(CHEMBL5277824)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(N)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611032
PNG
(CHEMBL5275703)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1)C(N)=O |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611036
PNG
(CHEMBL5288989)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(F)cc1)C(N)=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611005
PNG
(CHEMBL5273777)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(N)=O)c1C#N |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611046
PNG
(CHEMBL5290005)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611022
PNG
(CHEMBL5286700)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1C)C(N)=O |r|
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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611012
PNG
(CHEMBL5284796)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(C)(=O)=O)c1C#N |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611013
PNG
(CHEMBL5288492)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(=O)(=O)C2CC2)c1C#N |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611021
PNG
(CHEMBL5277327)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1Cl)C(N)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611047
PNG
(CHEMBL5277824)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(N)=O |r|
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Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50610997
PNG
(CHEMBL5276719)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(O)=O)c1C#N |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611031
PNG
(CHEMBL5266303)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(F)c1)C(N)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611016
PNG
(CHEMBL5288398)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(C[C@H](C)C(O)=O)c1C#N |r|
PDB

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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611034
PNG
(CHEMBL5282526)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(OC)c1)C(N)=O |r|
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Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611038
PNG
(CHEMBL5289817)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(OC)cc1)C(N)=O |r|
PDB

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More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611050
PNG
(CHEMBL5270765)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cncc(Cl)c2c(N[C@H](CC)C(N)=O)c1C#N |r|
PDB

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n/an/a 210n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611020
PNG
(CHEMBL5282226)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1F)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 220n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611043
PNG
(CHEMBL5272762)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccc(F)cc1OC)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 220n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611032
PNG
(CHEMBL5275703)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 230n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611026
PNG
(CHEMBL5270656)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1NC)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 240n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611012
PNG
(CHEMBL5284796)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2cnccc2c(N[C@H](CC)C(=O)NS(C)(=O)=O)c1C#N |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 260n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611023
PNG
(CHEMBL5273876)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1ccccc1OC)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 280n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha


(Homo sapiens)
BDBM50611035
PNG
(CHEMBL5283036)
Show SMILES CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(CO)c1)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 284n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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