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Compile Data Set for Download or QSAR

Found 29 hits with Last Name = 'freel meyers' and Initial = 'cl'   
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 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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.60E+3n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90E+3n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
9.10E+3n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.51E+4n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+;
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.84E+4n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.94E+4n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.78E+4n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
>7.50E+4n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>7.50E+4n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>7.50E+4n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/a8.0n/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...


Chembiochem 16: 1771-81 (2015)


Article DOI: 10.1002/cbic.201500119
BindingDB Entry DOI: 10.7270/Q29Z93MS
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
PDB
MMDB

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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))
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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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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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)
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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

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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
PDB
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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))
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
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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

UniProtKB/SwissProt

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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