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Found 14 hits Enz. Inhib. hit(s) with Target = '1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))'   
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
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50065935
PNG
(CHEMBL98797 | NOB | Nitrosobenzene (Substrate 1) |...)
Show SMILES O=Nc1ccccc1
Show InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
PDB
MMDB

KEGG

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CHEBI
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.08E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108226
PNG
(1‐methyl‐2‐nitrosobenzene (Subst...)
Show SMILES Cc1ccccc1N=O
Show InChI InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.91E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108230
PNG
(6‐hydroxy‐5‐nitrosonaphthalene&#...)
Show SMILES NS(=O)(=O)c1ccc2c(N=O)c(O)ccc2c1
Show InChI InChI=1S/C10H8N2O4S/c11-17(15,16)7-2-3-8-6(5-7)1-4-9(13)10(8)12-14/h1-5,13H,(H2,11,15,16)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.54E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108229
PNG
(6‐bromo‐1‐nitrosonaphthalen̴...)
Show SMILES Oc1ccc2cc(Br)ccc2c1N=O
Show InChI InChI=1S/C10H6BrNO2/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12-14/h1-5,13H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.22E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108227
PNG
(NDMA (Substrate 4))
Show SMILES CN(C)c1ccc(cc1)N=O
Show InChI InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.44E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108228
PNG
(1‐nitroso‐2‐naphthol (Substrate ...)
Show SMILES Oc1ccc2ccccc2c1N=O
Show InChI InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
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PC cid
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UniChem

Similars

Article
PubMed
4.22E+5 -20.0 1.07E+6n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108231
PNG
(7‐methoxy‐1‐nitrosonaphthalen...)
Show SMILES COc1ccc2ccc(O)c(N=O)c2c1
Show InChI InChI=1S/C11H9NO3/c1-15-8-4-2-7-3-5-10(13)11(12-14)9(7)6-8/h2-6,13H,1H3
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+6n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108232
PNG
(1‐isopropyl‐3,5‐dimethyl‐4...)
Show SMILES CC(C)n1nc(C)c(N=O)c1C
Show InChI InChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+6n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50496737
PNG
(CHEMBL3220783)
Show SMILES [Li+].COP([O-])(=O)C(C)=O
Show InChI InChI=1S/C3H7O4P.Li/c1-3(4)8(5,6)7-2;/h1-2H3,(H,5,6);/q;+1/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
960n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of ThDP-dependent Escherichia coli DXP synthase using pyruvate as substrate assessed as NADPH consumption by spectrophotometri...


Medchemcomm 3: 65-67 (2012)

More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50496738
PNG
(CHEMBL3220785)
Show SMILES [Li+].CCCCOP([O-])(=O)C(C)=O
Show InChI InChI=1S/C6H13O4P.Li/c1-3-4-5-10-11(8,9)6(2)7;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
5.60E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of ThDP-dependent Escherichia coli DXP synthase using pyruvate as substrate assessed as NADPH consumption by spectrophotometri...


Medchemcomm 3: 65-67 (2012)

More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50496736
PNG
(CHEMBL3220784)
Show SMILES [Li+].CCOP([O-])(=O)C(C)=O
Show InChI InChI=1S/C4H9O4P.Li/c1-3-8-9(6,7)4(2)5;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
PDB
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UniChem
PubMed
6.70E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of ThDP-dependent Escherichia coli DXP synthase using pyruvate as substrate assessed as NADPH consumption by spectrophotometri...


Medchemcomm 3: 65-67 (2012)

More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50496741
PNG
(CHEMBL3220786)
Show SMILES [Li+].CCC(=O)P([O-])(=O)OC
Show InChI InChI=1S/C4H9O4P.Li/c1-3-4(5)9(6,7)8-2;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
PDB
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UniProtKB/SwissProt

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UniChem
PubMed
2.58E+5n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of ThDP-dependent Escherichia coli DXP synthase using pyruvate as substrate assessed as NADPH consumption by spectrophotometri...


Medchemcomm 3: 65-67 (2012)

More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50496739
PNG
(CHEMBL3220787)
Show SMILES [Li+].CCCC(=O)P([O-])(=O)OC
Show InChI InChI=1S/C5H11O4P.Li/c1-3-4-5(6)10(7,8)9-2;/h3-4H2,1-2H3,(H,7,8);/q;+1/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of ThDP-dependent Escherichia coli DXP synthase using pyruvate as substrate assessed as NADPH consumption by spectrophotometri...


Medchemcomm 3: 65-67 (2012)

More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50496740
PNG
(CHEMBL3220788)
Show SMILES [Li+].CCCCC(=O)P([O-])(=O)OC
Show InChI InChI=1S/C6H13O4P.Li/c1-3-4-5-6(7)11(8,9)10-2;/h3-5H2,1-2H3,(H,8,9);/q;+1/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of ThDP-dependent Escherichia coli DXP synthase using pyruvate as substrate assessed as NADPH consumption by spectrophotometri...


Medchemcomm 3: 65-67 (2012)

More data for this
Ligand-Target Pair