Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50037816 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50024894
((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...)Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 | PDB
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Article
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| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50370832
(CNICIN)Show SMILES CC1=CCC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@H](O)CO |r,t:7| Show InChI InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8-/t15-,16+,17-,18-/m1/s1 | PDB
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| n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50024894
((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...)Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 | PDB
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| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50194430
(CHEMBL374146 | CYNAROPICRIN)Show SMILES OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |r| Show InChI InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1 | PDB
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| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50370832
(CNICIN)Show SMILES CC1=CCC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)[C@H](O)CO |r,t:7| Show InChI InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8-/t15-,16+,17-,18-/m1/s1 | PDB
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| n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50194430
(CHEMBL374146 | CYNAROPICRIN)Show SMILES OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |r| Show InChI InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1 | PDB
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| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50194428
(CHEMBL221283 | eupatoriopicrin)Show SMILES C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](CC(C)=CCC1)OC(=O)C(\CO)=C\CO |c:1| Show InChI InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6-,15-7+/t16-,17-,18+/m1/s1 | PDB
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| n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50194429
((-)-parthenolide | (1aR,7aS,10aS,10bS,Z)-1a,5-dime...)Show SMILES C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,t:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1 | PDB
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| n/a | n/a | 2.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50194428
(CHEMBL221283 | eupatoriopicrin)Show SMILES C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](CC(C)=CCC1)OC(=O)C(\CO)=C\CO |c:1| Show InChI InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6-,15-7+/t16-,17-,18+/m1/s1 | PDB
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| n/a | n/a | 3.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50411242
(CHEMBL86416)Show SMILES C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1,t:6| Show InChI InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50411242
(CHEMBL86416)Show SMILES C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1,t:6| Show InChI InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50411242
(CHEMBL86416)Show SMILES C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1,t:6| Show InChI InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50194425
(CHEMBL218788 | alpha-cyclocostunolide)Show SMILES CC1=CCC[C@@]2(C)CC[C@H]3[C@@H](OC(=O)C3=C)[C@H]12 |t:1| Show InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m1/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50096873
((3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,...)Show SMILES C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |r,t:16| Show InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50370831
(DEHYDROCOSTUSLACTONE)Show SMILES C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C |r| Show InChI InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1 | PDB
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Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50194429
((-)-parthenolide | (1aR,7aS,10aS,10bS,Z)-1a,5-dime...)Show SMILES C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,t:1| Show InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50096873
((3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-3a,5,...)Show SMILES C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 |r,t:16| Show InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50411242
(CHEMBL86416)Show SMILES C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1,t:6| Show InChI InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1 | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50194425
(CHEMBL218788 | alpha-cyclocostunolide)Show SMILES CC1=CCC[C@@]2(C)CC[C@H]3[C@@H](OC(=O)C3=C)[C@H]12 |t:1| Show InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
UDP-N-acetylglucosamine 1-carboxyvinyltransferase
(Escherichia coli K-12 (Enterobacteria)) | BDBM50370831
(DEHYDROCOSTUSLACTONE)Show SMILES C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C |r| Show InChI InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli K12 Mur A in presence of UNAG |
Bioorg Med Chem Lett 16: 5605-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.021
BindingDB Entry DOI: 10.7270/Q20Z742G |
More data for this
Ligand-Target Pair | |
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