Compile Data Set for Download or QSAR

Found 31 hits of ph data with Target = '1-deoxy-D-xylulose 5-phosphate reductoisomerase'   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM59100 (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 AffyNet	PC cid PC sid UniChem Similars	Article PubMed	202	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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)	BDBM59101 (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 AffyNet	PC cid PC sid UniChem	Article PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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)	BDBM59099 (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 AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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)	BDBM59098 (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 AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/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)	BDBM50153713 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.5	n/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 ...				Bioorg Chem 59: 140-4 (2015) Article DOI: 10.1016/j.bioorg.2015.02.008 BindingDB Entry DOI: 10.7270/Q2XS5T4J
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM152418 ((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 Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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+3	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 (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 Similars	Article PubMed	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 (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 MCE PC cid PC sid UniChem Similars	Article PubMed	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 (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+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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+4	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 (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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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	PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 ((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 Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/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 µM), 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 (Phosphate analogue, (s)-14) Show SMILES ON1[C@H](COP(O)(O)=O)COC1=O |r| 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 AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+5	-18.6	n/a	n/a	n/a	n/a	n/a	8.0	37
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)	BDBM50032981 ((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 AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+6	-14.2	n/a	n/a	n/a	n/a	n/a	8.0	37
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 Structure (docked)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM84560 (Phosphate analogue, (S)-21) Show SMILES OP(O)(=O)OC[C@@H]1COC(=O)N1 |r| 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 AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+6	-14.2	n/a	n/a	n/a	n/a	n/a	8.0	37
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 (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 AffyNet	PC cid PC sid UniChem	Article PubMed	6.50E+6	-13.0	n/a	n/a	n/a	n/a	n/a	8.0	37
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 (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 AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	1.80E+7	-10.4	n/a	n/a	n/a	n/a	n/a	8.0	37
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