BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 33 hits of ki data for polymerid = 4735   
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)
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
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+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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
KEGG
PC cid
PC sid
UniChem

Similars

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
PC cid
PC sid
UniChem

Similars

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)
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70E+3n/an/an/an/an/an/an/an/a



University of Strasburg

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...


Bioorg Med Chem 22: 3713-9 (2014)


Article DOI: 10.1016/j.bmc.2014.05.004
BindingDB Entry DOI: 10.7270/Q2057HKT
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
UniChem
Article
PubMed
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.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
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
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)
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
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.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
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
PC cid
PC sid
UniChem

Similars

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 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
PC cid
PC sid
UniChem

Similars

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
PC cid
PC sid
UniChem

Similars

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
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)
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-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
>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.


Chem Biol 11: 185-94 (2004)


Article DOI: 10.1016/j.chembiol.2004.02.012
BindingDB Entry DOI: 10.7270/Q2K9360M
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
Purchase

PC cid
PC sid
UniChem

Similars

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
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 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
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
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)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


Bioorg Med Chem Lett 14: 5309-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.023
BindingDB Entry DOI: 10.7270/Q25T3M75
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
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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)
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
Purchase

PC cid
PC sid
UniChem

Similars

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
PC cid
PC sid
UniChem

Similars

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
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
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
PC cid
PC sid
UniChem

Similars

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
PC cid
PC sid
UniChem

Similars

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
PC cid
PC sid
UniChem

Similars

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
Purchase

PC cid
PC sid
UniChem

Similars

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)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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 ...


Chembiochem 6: 1866-74 (2005)


Article DOI: 10.1002/cbic.200500061
BindingDB Entry DOI: 10.7270/Q26D5RHB
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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


Bioorg Med Chem Lett 14: 5309-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.023
BindingDB Entry DOI: 10.7270/Q25T3M75
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 ...


Chembiochem 6: 1866-74 (2005)


Article DOI: 10.1002/cbic.200500061
BindingDB Entry DOI: 10.7270/Q26D5RHB
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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 ...


Chembiochem 6: 1866-74 (2005)


Article DOI: 10.1002/cbic.200500061
BindingDB Entry DOI: 10.7270/Q26D5RHB
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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 ...


Chembiochem 6: 1866-74 (2005)


Article DOI: 10.1002/cbic.200500061
BindingDB Entry DOI: 10.7270/Q26D5RHB
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
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 ...


Chembiochem 6: 1866-74 (2005)


Article DOI: 10.1002/cbic.200500061
BindingDB Entry DOI: 10.7270/Q26D5RHB
More data for this
Ligand-Target Pair