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Found 147 hits Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose 5-phosphate reductoisomerase' AND taxid = 83333   
Target
(Institution)
LigandTarget
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
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59100
PNG
(Bi-ligand, 3)
Show SMILES Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H20N2O5S2/c1-15-2-7-18(8-3-15)32-19-9-5-17(6-10-19)26-23(30)14-27-24(31)22(34-25(27)33)13-16-4-11-20(28)21(29)12-16/h2-13,28-29H,14H2,1H3,(H,26,30)/b22-13-
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Article
PubMed
202n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152418
PNG
((1E,1’E)-O,O’-(Ethane-1,2-diyl)bis[2,4,5...)
Show SMILES Oc1cc(O)c(\C=N\OCCO\N=C\c2cc(O)c(O)cc2O)cc1O
Show InChI InChI=1S/C16H16N2O8/c19-11-5-15(23)13(21)3-9(11)7-17-25-1-2-26-18-8-10-4-14(22)16(24)6-12(10)20/h3-8,19-24H,1-2H2/b17-7+,18-8+
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152420
PNG
((E)-2,4,5-Trihydroxybenzaldehyde oxime (7))
Show SMILES O\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C7H7NO4/c9-5-2-7(11)6(10)1-4(5)3-8-12/h1-3,9-12H/b8-3+
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2.60E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152421
PNG
((E)-2,4,5-Trihydroxybenzaldehyde O-methyl oxime (8...)
Show SMILES CO\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H9NO4/c1-13-9-4-5-2-7(11)8(12)3-6(5)10/h2-4,10-12H,1H3/b9-4+
PDB
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PubMed
3.90E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50044976
PNG
(CHEMBL2316879)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(O)c(O)c2)C1=O
Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/b9-4-
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PubMed
7.70E+3n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of His-tagged Escherichia coli DXR at 1 to 8 uM pre-incubated for 2 mins before reaction initiation in presence of 160 uM NA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59101
PNG
(Bi-ligand, 4)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C21H17N3O8S3/c25-14-2-1-10(5-15(14)26)6-16-18(28)24(21(33)35-16)9-17(27)22-3-4-34-11-7-12(19(29)30)23-13(8-11)20(31)32/h1-2,5-8,25-26H,3-4,9H2,(H,22,27)(H,29,30)(H,31,32)/p-2/b16-6-
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7.90E+3n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152422
PNG
((E)-2,4,5-Trihydroxybenzaldehyde O-benzyl oxime (9...)
Show SMILES Oc1cc(O)c(\C=N\OCc2ccccc2)cc1O
Show InChI InChI=1S/C14H13NO4/c16-12-7-14(18)13(17)6-11(12)8-15-19-9-10-4-2-1-3-5-10/h1-8,16-18H,9H2/b15-8+
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9.10E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59099
PNG
(Bi-ligand, 2)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O
Show InChI InChI=1S/C22H20Cl2N2O4S2/c23-15-6-4-14(9-16(15)24)12-25-20(29)3-1-2-8-26-21(30)19(32-22(26)31)11-13-5-7-17(27)18(28)10-13/h4-7,9-11,27-28H,1-3,8,12H2,(H,25,29)/b19-11-
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PubMed
1.00E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152434
PNG
((E)-2-Fluoro-4,5-dihydroxybenzaldehyde O-methyl ox...)
Show SMILES CO\N=C\c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H8FNO3/c1-13-10-4-5-2-7(11)8(12)3-6(5)9/h2-4,11-12H,1H3/b10-4+
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PubMed
1.51E+4n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152417
PNG
(Sodium (1E,7E)-1-(2,4,5-trihydroxyphenyl)-3,6-diox...)
Show SMILES [Na+].Oc1cc(O)c(\C=N\OCCO\N=C\C([O-])=O)cc1O
Show InChI InChI=1S/C11H12N2O7.Na/c14-8-4-10(16)9(15)3-7(8)5-12-19-1-2-20-13-6-11(17)18;/h3-6,14-16H,1-2H2,(H,17,18);/q;+1/p-1/b12-5+,13-6+;
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1.84E+4n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152429
PNG
((E)-3,4,5-Trihydroxybenzaldehyde O-methyl oxime (1...)
Show SMILES CO\N=C\c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C8H9NO4/c1-13-9-4-5-2-6(10)8(12)7(11)3-5/h2-4,10-12H,1H3/b9-4+
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PubMed
2.94E+4n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152433
PNG
((E)-2-Hydroxy-3-nitrobenzaldehyde O-methyl oxime (...)
Show SMILES CO\N=C\c1cccc([NH+]=O)c1O
Show InChI InChI=1S/C8H8N2O3/c1-13-9-5-6-3-2-4-7(10-12)8(6)11/h2-5,11H,1H3/p+1/b9-5+
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4.78E+4n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM59098
PNG
(Bi-ligand, 1)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O
Show InChI InChI=1S/C12H9NO5S2/c14-7-2-1-6(3-8(7)15)4-9-11(18)13(5-10(16)17)12(19)20-9/h1-4,14-15H,5H2,(H,16,17)/p-1/b9-4-
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>5.00E+4n/an/an/an/an/an/a7.4n/a



Triad Therapeutics, Inc



Assay Description
All reactions were monitored spectrophotometrically at 340 nm by using initial rates from the first 5% of reaction.


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152424
PNG
((E)-5-[(2-Methylhydrazono)methyl]benzene-1,2,4-tri...)
Show SMILES CN\N=C\c1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H10N2O3/c1-9-10-4-5-2-7(12)8(13)3-6(5)11/h2-4,9,11-13H,1H3/b10-4+
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>7.50E+4n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152419
PNG
(2,4,5-trihydroxybenzaldehyde (6))
Show SMILES Oc1cc(O)c(C=O)cc1O
Show InChI InChI=1S/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11H
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>7.50E+4n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152423
PNG
(5-[(Methoxyamino)methyl]benzene-1,2,4-triol hydroc...)
Show SMILES Cl.CONCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO4.ClH/c1-13-9-4-5-2-7(11)8(12)3-6(5)10;/h2-3,9-12H,4H2,1H3;1H
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>7.50E+4n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152425
PNG
((E,Z)-2,4,5-Trimethoxybenzaldehyde O-methyl oxime ...)
Show SMILES CO\N=C\c1cc(OC)c(OC)cc1OC
Show InChI InChI=1S/C11H15NO4/c1-13-9-6-11(15-3)10(14-2)5-8(9)7-12-16-4/h5-7H,1-4H3/b12-7+
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>1.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153710
PNG
(3S-hydroxypentan-2-one 5-phosphate)
Show SMILES CC(=O)[C@@H](O)CCOP([O-])([O-])=O
Show InChI InChI=1S/C5H11O6P/c1-4(6)5(7)2-3-11-12(8,9)10/h5,7H,2-3H2,1H3,(H2,8,9,10)/p-2/t5-/m0/s1
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1.20E+5n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli deoxyxylulose 5-phosphate reductoisomerase


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152436
PNG
((E)-2-Fluoro-4,5-dimethoxybenzaldehyde O-methyl ox...)
Show SMILES CO\N=C\c1cc(OC)c(OC)cc1F
Show InChI InChI=1S/C10H12FNO3/c1-13-9-4-7(6-12-15-3)8(11)5-10(9)14-2/h4-6H,1-3H3/b12-6+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152435
PNG
((E)-4,5-Difluoro-2-hydroxybenzaldehyde O-methyl ox...)
Show SMILES CO\N=C\c1cc(F)c(F)cc1O
Show InChI InChI=1S/C8H7F2NO2/c1-13-11-4-5-2-6(9)7(10)3-8(5)12/h2-4,12H,1H3/b11-4+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152432
PNG
((E)-4-Hydroxy-3-nitrobenzaldehyde O-methyl oxime (...)
Show SMILES CO\N=C\c1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C8H8N2O4/c1-14-9-5-6-2-3-8(11)7(4-6)10(12)13/h2-5,11H,1H3/b9-5+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152431
PNG
((E)-Uracil-6-carbaldehyde O-methyl oxime (19))
Show SMILES CO\N=C\c1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C6H7N3O3/c1-12-7-3-4-2-5(10)9-6(11)8-4/h2-3H,1H3,(H2,8,9,10,11)/b7-3+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152430
PNG
((E)-3,4-Dihydroxy-5-methoxybenzaldehyde O-methyl o...)
Show SMILES CO\N=C\c1cc(O)c(O)c(OC)c1
Show InChI InChI=1S/C9H11NO4/c1-13-8-4-6(5-10-14-2)3-7(11)9(8)12/h3-5,11-12H,1-2H3/b10-5+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152428
PNG
((E)-2,4-Dihydroxybenzaldehyde O-methyl oxime (16))
Show SMILES CO\N=C\c1ccc(O)cc1O
Show InChI InChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)4-8(6)11/h2-5,10-11H,1H3/b9-5+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50149225
PNG
(3,4-Dihydroxy-benzaldehyde O-methyl-oxime | CHEMBL...)
Show SMILES CO\N=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H9NO3/c1-12-9-5-6-2-3-7(10)8(11)4-6/h2-5,10-11H,1H3/b9-5+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152426
PNG
((E)-2-Hydroxybenzaldehyde O-methyl oxime (14))
Show SMILES CO\N=C\c1ccccc1O
Show InChI InChI=1S/C8H9NO2/c1-11-9-6-7-4-2-3-5-8(7)10/h2-6,10H,1H3/b9-6+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM152427
PNG
((E)-2,5-Dihydroxybenzaldehyde O-methyl oxime (15))
Show SMILES CO\N=C\c1cc(O)ccc1O
Show InChI InChI=1S/C8H9NO3/c1-12-9-5-6-4-7(10)2-3-8(6)11/h2-5,10-11H,1H3/b9-5+
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>2.00E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine



Assay Description
DXP synthase reaction mixtures containing HEPES (100 mM, pH 8.0), MgCl2 (2 mM), NaCl (5 mM), ThDP (1 mM), BSA (1 mg/mL), pyruvate (12.5-250 然), D-GA...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM84559
PNG
(Phosphate analogue, (s)-14)
Show SMILES ON1[C@H](COP(O)(O)=O)COC1=O
Show InChI InChI=1S/C4H8NO7P/c6-4-5(7)3(1-11-4)2-12-13(8,9)10/h3,7H,1-2H2,(H2,8,9,10)/t3-/m0/s1
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7.50E+5 -18.6n/an/an/an/an/a8.037



University of Bristol



Assay Description
The assay was monitored spectrophotometrically through the consumption of beta-NADPH. The inhibitor assays contained inhibitor at concentrations of ...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153714
PNG
(4S-hydroxypentan-2-one 5-phosphate)
Show SMILES CC(=O)C[C@H](O)COP([O-])([O-])=O
Show InChI InChI=1S/C5H11O6P/c1-4(6)2-5(7)3-11-12(8,9)10/h5,7H,2-3H2,1H3,(H2,8,9,10)/p-2/t5-/m0/s1
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8.00E+5n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli deoxyxylulose 5-phosphate reductoisomerase


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50032981
PNG
((3-Amino-propyl)-phosphonic acid | CHEMBL286077 | ...)
Show SMILES NCCCP(O)(O)=O
Show InChI InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)
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4.00E+6 -14.2n/an/an/an/an/a8.037



University of Bristol



Assay Description
The assay was monitored spectrophotometrically through the consumption of beta-NADPH. The inhibitor assays contained inhibitor at concentrations of ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM84560
PNG
(Phosphate analogue, (S)-21)
Show SMILES OP(O)(=O)OC[C@@H]1COC(=O)N1
Show InChI InChI=1S/C4H8NO6P/c6-4-5-3(1-10-4)2-11-12(7,8)9/h3H,1-2H2,(H,5,6)(H2,7,8,9)/t3-/m0/s1
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4.10E+6 -14.2n/an/an/an/an/a8.037



University of Bristol



Assay Description
The assay was monitored spectrophotometrically through the consumption of beta-NADPH. The inhibitor assays contained inhibitor at concentrations of ...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM84558
PNG
(Phosphate analogue, 9)
Show SMILES CC(=O)NCCCP(O)(O)=O
Show InChI InChI=1S/C5H12NO4P/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)
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6.50E+6 -13.0n/an/an/an/an/a8.037



University of Bristol



Assay Description
The assay was monitored spectrophotometrically through the consumption of beta-NADPH. The inhibitor assays contained inhibitor at concentrations of ...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM84557
PNG
(Phosphate analogue, 6)
Show SMILES CCP(O)(O)=O
Show InChI InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
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1.80E+7 -10.4n/an/an/an/an/a8.037



University of Bristol



Assay Description
The assay was monitored spectrophotometrically through the consumption of beta-NADPH. The inhibitor assays contained inhibitor at concentrations of ...


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 20n/an/an/an/an/an/a



Philipps University

Curated by ChEMBL


Assay Description
Inhibitory concentration against DOXP reductoisomerase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50181153
PNG
(3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N...)
Show SMILES CC(=O)N(O)CCCP(O)(O)=O
Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)
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n/an/a 28n/an/an/an/an/an/a



Philipps University

Curated by ChEMBL


Assay Description
Inhibitory concentration against DOXP reductoisomerase


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 30n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 30n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50181153
PNG
(3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N...)
Show SMILES CC(=O)N(O)CCCP(O)(O)=O
Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)
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n/an/a 30n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50181153
PNG
(3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N...)
Show SMILES CC(=O)N(O)CCCP(O)(O)=O
Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)
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n/an/a 30n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 32n/an/an/an/an/an/a



Universit£ de Strasbourg/CNRS

Curated by ChEMBL


Assay Description
Inhibition of His-tagged Escherichia coli DXR pre-incubated for 2 mins before reaction initiation in presence of 160 uM NADPH in absence of 0.01% Tri...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 32n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Dxr


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 42n/an/an/an/an/an/a



Universite de Strasbourg



Assay Description
Assays were performed in 50 mM Tris/HCl buffer, pH 7.5, containing 3 mM MgCl2 and 2 mM DTT. The concentrations of NADPH and DXP were 0.15 and 0.5 mM ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50153713
PNG
(3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...)
Show SMILES ON(CCCP(O)(O)=O)C=O
Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
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n/an/a 48n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50185361
PNG
((1R,2S)-2-[N-(acetyl),N-(hydroxy)aminomethyl]-cycl...)
Show SMILES CC(=O)N(O)C[C@@H]1C[C@H]1P(O)(O)=O
Show InChI InChI=1S/C6H12NO5P/c1-4(8)7(9)3-5-2-6(5)13(10,11)12/h5-6,9H,2-3H2,1H3,(H2,10,11,12)/t5-,6+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50422669
PNG
(CHEMBL607359 | UK-513)
Show SMILES CC(CCN(O)C(C)=O)P(O)(O)=O
Show InChI InChI=1S/C6H14NO5P/c1-5(13(10,11)12)3-4-7(9)6(2)8/h5,9H,3-4H2,1-2H3,(H2,10,11,12)
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n/an/a 54n/an/an/an/an/an/a



Philipps University

Curated by ChEMBL


Assay Description
Inhibitory concentration against DOXP reductoisomerase


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50181153
PNG
(3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N...)
Show SMILES CC(=O)N(O)CCCP(O)(O)=O
Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)
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n/an/a 58n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50181154
PNG
(1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propy...)
Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C=O
Show InChI InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)
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n/an/a 59n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli DXR


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50181154
PNG
(1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propy...)
Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C=O
Show InChI InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)
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n/an/a 59n/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXR


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More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50422650
PNG
(CHEMBL606521)
Show SMILES CC(=O)N(O)CC=CP(O)(O)=O
Show InChI InChI=1S/C5H10NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h2,4,8H,3H2,1H3,(H2,9,10,11)
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n/an/a 65n/an/an/an/an/an/a



Philipps University

Curated by ChEMBL


Assay Description
Inhibitory concentration against DOXP reductoisomerase


Citation and Details
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase


(Escherichia coli)
BDBM50028362
PNG
(CHEMBL3341763)
Show SMILES COc1ccc(cc1)C(CCC(=O)N(C)O)P(O)(O)=O
Show InChI InChI=1/C12H18NO6P/c1-13(15)12(14)8-7-11(20(16,17)18)9-3-5-10(19-2)6-4-9/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)
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n/an/a 70n/an/an/an/an/an/a



Heinrich Heine Universit£t

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis


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Ligand-Target Pair
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