Found 86 hits Enz. Inhib. hit(s) with Target = '5-enolpyruvylshikimate-3-phosphate synthase' Target (Institution) | Ligand | Target 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 |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281351
 ((Phosphonomethyl-amino)-acetic acid methyl ester |...)Show InChI InChI=1S/C4H10NO5P/c1-10-4(6)2-5-3-11(7,8)9/h5H,2-3H2,1H3,(H2,7,8,9) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
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CHEMBL PC cid PC sid UniChem
Patents
Similars AffyNet 
| Article
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281349
 (CHEMBL95764 | N-(phosphonomethyl)glycine | glyphos...)Show InChI InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | PDB MMDB
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CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars AffyNet 
| PDB Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (crystal) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283574
 (3-(Carboxy-phosphono-methoxy)-5-phosphonooxy-benzo...)Show SMILES OP([O-])(=O)Oc1cc(OC(C([O-])=O)P(O)([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H10O12P2/c10-7(11)4-1-5(3-6(2-4)21-23(17,18)19)20-9(8(12)13)22(14,15)16/h1-3,9H,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)/p-4 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281350
 ((1-Phosphono-ethylamino)-acetic acid | CHEMBL33043...)Show InChI InChI=1S/C4H10NO5P/c1-3(11(8,9)10)5-2-4(6)7/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10) | PDB MMDB
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UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Patents
Similars AffyNet 
| Article
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281356
 (3-Amino-4-phosphono-butyric acid | CHEMBL98402)Show InChI InChI=1S/C4H10NO5P/c5-3(1-4(6)7)2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281347
 (2-(Phosphonomethyl-amino)-propionic acid | CHEMBL9...)Show InChI InChI=1S/C4H10NO5P/c1-3(4(6)7)5-2-11(8,9)10/h3,5H,2H2,1H3,(H,6,7)(H2,8,9,10) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
Similars AffyNet 
| Article
| n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283579
 (CHEMBL314675 | Di sodium;3,5-Bis-phosphonooxy-benz...)Show SMILES OC(=O)c1cc(OP(O)([O-])=O)cc(OP(O)([O-])=O)c1 Show InChI InChI=1S/C7H8O10P2/c8-7(9)4-1-5(16-18(10,11)12)3-6(2-4)17-19(13,14)15/h1-3H,(H,8,9)(H2,10,11,12)(H2,13,14,15)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283578
 ((3R,4R,5R)-5-Carboxymethoxy-4-hydroxy-3-phosphonoo...)Show SMILES O[C@@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/p-3/t5-,6-,8-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281993
 (CHEMBL287334 | Trisodium salt of (3R,4S,5R)-5-Carb...)Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OCC([O-])=O Show InChI InChI=1S/C9H13O10P/c10-7(11)3-18-5-1-4(9(13)14)2-6(8(5)12)19-20(15,16)17/h2,5-6,8,12H,1,3H2,(H,10,11)(H,13,14)(H2,15,16,17)/p-3/t5-,6-,8+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281354
 ((Methyl-phosphonomethyl-amino)-acetic acid | CHEMB...)Show InChI InChI=1S/C4H10NO5P/c1-5(2-4(6)7)3-11(8,9)10/h2-3H2,1H3,(H,6,7)(H2,8,9,10) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
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CHEMBL PC cid PC sid UniChem
Patents
Similars AffyNet 
| Article
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281990
 (CHEMBL33426 | Trisodium salt of (3R,4S,5R)-5-(1-Ca...)Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)([O-])=O)C([O-])=O)OC(=C)C([O-])=O Show InChI InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)/p-3/t6-,7-,8+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283582
 (2-(3-Carboxy-5-dicarboxymethoxy-phenoxy)-malonic a...)Show SMILES OC(=O)C(Oc1cc(OC(C(O)=O)C(O)=O)cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C13H10O12/c14-9(15)4-1-5(24-7(10(16)17)11(18)19)3-6(2-4)25-8(12(20)21)13(22)23/h1-3,7-8H,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281352
 ((Hydroxyphosphinoylmethyl-amino)-acetic acid | CHE...)Show InChI InChI=1S/C3H6NO4P/c5-3(6)1-4-2-9(7)8/h2,7-8H,1H2,(H,5,6) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
Similars AffyNet 
| Article
| n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for the inhibition against E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase |
Bioorg Med Chem Lett 3: 2863-2868 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283575
 (3-Carboxymethoxy-5-phosphonooxy-benzoic acid; tris...)Show SMILES OP([O-])(=O)Oc1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C9H9O9P/c10-8(11)4-17-6-1-5(9(12)13)2-7(3-6)18-19(14,15)16/h1-3H,4H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | 1.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283583
 (CHEMBL314530 | sodium 3-(carboxylatomethoxy)-5-(di...)Show SMILES OC(=O)C(Oc1cc(OCC([O-])=O)cc(c1)C([O-])=O)C(O)=O Show InChI InChI=1S/C12H10O10/c13-8(14)4-21-6-1-5(10(15)16)2-7(3-6)22-9(11(17)18)12(19)20/h1-3,9H,4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-2 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283584
 (CHEMBL88887 | disodium hydrogen 3-carboxy-5-[(hydr...)Show SMILES OC(=O)c1cc(CP(O)([O-])=O)cc(CP(O)([O-])=O)c1 Show InChI InChI=1S/C9H12O8P2/c10-9(11)8-2-6(4-18(12,13)14)1-7(3-8)5-19(15,16)17/h1-3H,4-5H2,(H,10,11)(H2,12,13,14)(H2,15,16,17)/p-2 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283580
 (CHEMBL432180 | Tri-Sodium; 3-carboxymethoxy-5-(hyd...)Show SMILES OP(O)([O-])C(=O)c1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C10H10O9P/c11-8(12)4-19-7-2-5(9(13)14)1-6(3-7)10(15)20(16,17)18/h1-3,16-17,20H,4H2,(H,11,12)(H,13,14)/q-1/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281995
 (CHEMBL284334 | Disodium salt of 3-Phosphonooxy-cyc...)Show InChI InChI=1S/C7H11O6P/c8-7(9)5-2-1-3-6(4-5)13-14(10,11)12/h4,6H,1-3H2,(H,8,9)(H2,10,11,12)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 7.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283581
 (3-Hydroxy-5-phosphonooxy-benzoic acid;disodium | C...)Show InChI InChI=1S/C7H7O7P/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H2,11,12,13)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 7.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283581
 (3-Hydroxy-5-phosphonooxy-benzoic acid;disodium | C...)Show InChI InChI=1S/C7H7O7P/c8-5-1-4(7(9)10)2-6(3-5)14-15(11,12)13/h1-3,8H,(H,9,10)(H2,11,12,13)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 7.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281346
 ((3R,4S,5R)-3,4-Dihydroxy-5-(oxalyl-amino)-cyclohex...)Show SMILES O[C@@H]1C=C(C[C@@H](NC(=O)C(O)=O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C9H11NO7/c11-5-2-3(8(14)15)1-4(6(5)12)10-7(13)9(16)17/h2,4-6,11-12H,1H2,(H,10,13)(H,14,15)(H,16,17)/t4-,5-,6+/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | >1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP). |
Bioorg Med Chem Lett 3: 2857-2862 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283585
 (CHEMBL89228 | Sodium; 3-dicarboxymethoxy-5-hydroxy...)Show InChI InChI=1S/C10H8O8/c11-5-1-4(8(12)13)2-6(3-5)18-7(9(14)15)10(16)17/h1-3,7,11H,(H,12,13)(H,14,15)(H,16,17)/p-1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283577
 (CHEMBL88094 | Sodium; (3-carboxy-5-phosphono-pheno...)Show InChI InChI=1S/C9H9O8P/c10-8(11)4-17-6-1-5(9(12)13)2-7(3-6)18(14,15)16/h1-3H,4H2,(H,10,11)(H,12,13)(H2,14,15,16)/p-2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283586
 (3-Hydroxy-5-(hydroxy-phosphonomethyl)-benzoic acid...)Show InChI InChI=1S/C8H8O7P/c9-6-2-4(7(10)11)1-5(3-6)8(12)16(13,14)15/h1-3,9,13-14,16H,(H,10,11)/q-1/p-1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283572
 (CHEMBL262641 | Sodium; (3-carboxy-5-phosphonomethy...)Show SMILES OP([O-])(=O)Cc1cc(OCC([O-])=O)cc(c1)C([O-])=O Show InChI InChI=1S/C10H11O8P/c11-9(12)4-18-8-2-6(5-19(15,16)17)1-7(3-8)10(13)14/h1-3H,4-5H2,(H,11,12)(H,13,14)(H2,15,16,17)/p-3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50288342
 (2-(3-Carboxy-5-hydroxy-phenoxy)-malonic acid | CHE...)Show InChI InChI=1S/C10H8O8/c11-5-1-4(8(12)13)2-6(3-5)18-7(9(14)15)10(16)17/h1-3,7,11H,(H,12,13)(H,14,15)(H,16,17) | PDB MMDB
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B.MOAD DrugBank GoogleScholar AffyNet 
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Similars AffyNet 
| Article
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281987
 (2-(3-Carboxy-cyclohex-2-enyloxy)-malonic acid | CH...)Show InChI InChI=1S/C10H12O7/c11-8(12)5-2-1-3-6(4-5)17-7(9(13)14)10(15)16/h4,6-7H,1-3H2,(H,11,12)(H,13,14)(H,15,16) | PDB MMDB
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Patents AffyNet 
| Article
| n/a | n/a | 1.50E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50288338
 (2-(5-Carboxy-2-hydroxy-phenyl)-2-hydroxy-malonic a...)Show InChI InChI=1S/C10H8O8/c11-6-2-1-4(7(12)13)3-5(6)10(18,8(14)15)9(16)17/h1-3,11,18H,(H,12,13)(H,14,15)(H,16,17) | PDB MMDB
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B.MOAD DrugBank GoogleScholar AffyNet 
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| Article
| n/a | n/a | 2.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50288340
 (5-Phosphono-pyrrolidine-2-carboxylic acid | CHEMBL...)Show InChI InChI=1S/C5H10NO5P/c7-5(8)3-1-2-4(6-3)12(9,10)11/h3,9-12H,1-2H2,(H,7,8) | PDB MMDB
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| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50288341
 (1-Phosphonomethyl-1H-pyrrole-2-carboxylic acid | C...)Show InChI InChI=1S/C6H8NO5P/c8-6(9)5-2-1-3-7(5)4-13(10,11)12/h1-3H,4H2,(H,8,9)(H2,10,11,12) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50288343
 (3-Phosphono-benzoic acid | CHEMBL97210)Show InChI InChI=1S/C7H7O5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12) | PDB MMDB
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CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50288337
 (6-Phosphono-pyridine-2-carboxylic acid | CHEMBL953...)Show InChI InChI=1S/C6H6NO5P/c8-6(9)4-2-1-3-5(7-4)13(10,11)12/h1-3H,(H,8,9)(H2,10,11,12) | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50283573
 (CHEMBL89190 | Sodium; 3-hydroxy-5-phosphonomethyl-...)Show InChI InChI=1S/C8H9O6P/c9-7-2-5(4-15(12,13)14)1-6(3-7)8(10)11/h1-3,9H,4H2,(H,10,11)(H2,12,13,14)/p-1 | PDB MMDB
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Similars AffyNet 
| Article
| n/a | n/a | >8.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of Escherichia coli EPSP synthase |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281998
 ((3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carbox...)Show InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 | PDB MMDB
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| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (crystal) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281997
 (3-Phosphonomethylene-cyclohex-1-enecarboxylic acid...)Show InChI InChI=1S/C8H11O5P/c9-8(10)7-3-1-2-6(4-7)5-14(11,12)13/h4-5H,1-3H2,(H,9,10)(H2,11,12,13)/b6-5- | PDB MMDB
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| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281996
 (2-(3-Carboxy-cyclohex-2-enyl)-malonic acid | CHEMB...)Show InChI InChI=1S/C10H12O6/c11-8(12)6-3-1-2-5(4-6)7(9(13)14)10(15)16/h4-5,7H,1-3H2,(H,11,12)(H,13,14)(H,15,16) | PDB MMDB
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Patents AffyNet 
| Article
| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281994
 (CHEMBL430544 | Disodium salt of (3R,4R,5R)-5-(1-Ca...)Show SMILES O[C@@H]1C=C(C[C@@H](OC(=C)C([O-])=O)[C@@H]1O)C([O-])=O Show InChI InChI=1S/C10H12O7/c1-4(9(13)14)17-7-3-5(10(15)16)2-6(11)8(7)12/h2,6-8,11-12H,1,3H2,(H,13,14)(H,15,16)/p-2/t6-,7-,8-/m1/s1 | PDB MMDB
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Similars AffyNet 
| Article
| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281992
 (CHEMBL32407 | Disodium salt of 3-Phosphonomethyl-c...)Show InChI InChI=1S/C8H13O5P/c9-8(10)7-3-1-2-6(4-7)5-14(11,12)13/h4,7H,1-3,5H2,(H,9,10)(H2,11,12,13)/p-2 | PDB MMDB
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| Article
| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281991
 (3-Phosphonomethoxy-cyclohex-1-enecarboxylic acid |...)Show InChI InChI=1S/C8H13O6P/c9-8(10)6-2-1-3-7(4-6)14-5-15(11,12)13/h4,7H,1-3,5H2,(H,9,10)(H2,11,12,13) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem AffyNet 
| Article
| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281989
 (CHEMBL285416 | Sodium; (3-carboxy-5,6-dihydroxy-cy...)Show SMILES O[C@@H]1C=C(C[C@@H](OC(=O)CP(O)([O-])=O)[C@@H]1O)C([O-])=O Show InChI InChI=1S/C9H13O9P/c10-5-1-4(9(13)14)2-6(8(5)12)18-7(11)3-19(15,16)17/h1,5-6,8,10,12H,2-3H2,(H,13,14)(H2,15,16,17)/p-2/t5-,6-,8-/m1/s1 | PDB MMDB
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| Article
| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281345
 ((3R,4R,5R)-5-Carboxymethoxy-3,4-dihydroxy-cyclohex...)Show SMILES O[C@@H]1C=C(C[C@@H](OCC(O)=O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C9H12O7/c10-5-1-4(9(14)15)2-6(8(5)13)16-3-7(11)12/h1,5-6,8,10,13H,2-3H2,(H,11,12)(H,14,15)/t5-,6-,8-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
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Similars AffyNet 
| Article
| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281986
 (3-Phosphonomethylene-cyclohex-1-enecarboxylic acid...)Show InChI InChI=1S/C8H11O5P/c9-8(10)7-3-1-2-6(4-7)5-14(11,12)13/h4-5H,1-3H2,(H,9,10)(H2,11,12,13)/b6-5+ | PDB MMDB
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UniProtKB/SwissProt
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Similars AffyNet 
| Article
| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of E. coli EPSP(5-enolpyruvyl-shikimate-3-phosphate) Synthase |
Bioorg Med Chem Lett 3: 1435-1440 (1993)
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281342
 ((3R,4R,5R)-5-(1-Carboxy-vinyloxy)-3,4-dihydroxy-cy...)Show SMILES O[C@@H]1C=C(C[C@@H](OC(=C)C(O)=O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C10H12O7/c1-4(9(13)14)17-7-3-5(10(15)16)2-6(11)8(7)12/h2,6-8,11-12H,1,3H2,(H,13,14)(H,15,16)/t6-,7-,8-/m1/s1 | PDB MMDB
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| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP). |
Bioorg Med Chem Lett 3: 2857-2862 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50281345
 ((3R,4R,5R)-5-Carboxymethoxy-3,4-dihydroxy-cyclohex...)Show SMILES O[C@@H]1C=C(C[C@@H](OCC(O)=O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C9H12O7/c10-5-1-4(9(14)15)2-6(8(5)13)16-3-7(11)12/h1,5-6,8,10,13H,2-3H2,(H,11,12)(H,14,15)/t5-,6-,8-/m1/s1 | PDB MMDB
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Similars AffyNet 
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| n/a | n/a | >9.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description The compound was tested for the inhibition of E. coli 5-enolpyruvyl-shikimate-3-phosphate synthase (EPSP). |
Bioorg Med Chem Lett 3: 2857-2862 (1993)
|
More data for this Ligand-Target Pair |  3D Structure (docked) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50403588
 (CHEMBL1627015)Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C([O-])=O)O[C@@](OP(O)(O)=O)(C(F)F)C(O)=O Show InChI InChI=1S/C10H14F2O14P2/c11-8(12)10(9(16)17,26-28(21,22)23)24-4-1-3(7(14)15)2-5(6(4)13)25-27(18,19)20/h2,4-6,8,13H,1H2,(H,14,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)/p-1/t4-,5-,6+,10-/m1/s1 | PDB MMDB
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Similars AffyNet 
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50403587
 (CHEMBL1627013)Show SMILES C[C@@](O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C([O-])=O)(C(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/p-1/t5-,6-,7+,10+/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
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Similars AffyNet 
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50403591
 (CHEMBL1160691)Show InChI InChI=1S/C6H8NO6P/c8-5(9)4-1-3(2-7-4)6(10)14(11,12)13/h1-2,7,11-14H,(H,8,9) | PDB MMDB
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B.MOAD DrugBank GoogleScholar AffyNet 
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| Article
| 14.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
|
More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50280240
 ((3R,4S,5R)-4-hydroxy-5-[(1S)-1-methyl-2-oxido-2-ox...)Show SMILES C[C@@](O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O)(C([O-])=O)P([O-])([O-])=O Show InChI InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/p-6/t5-,6-,7+,10+/m1/s1 | PDB MMDB
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B.MOAD DrugBank GoogleScholar AffyNet 
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Similars AffyNet 
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Potency against EPSP synthase |
Citation and Details
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More data for this Ligand-Target Pair |  3D Structure (crystal) |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50403585
 (CHEMBL1627010)Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C([O-])=O)O[C@](OP(O)(O)=O)(C(O)=O)C(F)(F)F Show InChI InChI=1S/C10H13F3O14P2/c11-10(12,13)9(8(17)18,27-29(22,23)24)25-4-1-3(7(15)16)2-5(6(4)14)26-28(19,20)21/h2,4-6,14H,1H2,(H,15,16)(H,17,18)(H2,19,20,21)(H2,22,23,24)/p-1/t4-,5-,6+,9+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| Article
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Citation and Details
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More data for this Ligand-Target Pair | |
5-enolpyruvylshikimate-3-phosphate synthase
(Escherichia coli (strain K12)) | BDBM50123088
 (6,7-Dihydroxy-2-[1-(2-hydroxy-4-methoxy-phenyl)-me...)Show InChI InChI=1S/C16H12O6/c1-21-9-3-2-8(12(18)7-9)6-13-14(19)10-4-5-11(17)15(20)16(10)22-13/h2-7,17-18,20H,1H3/b13-6+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Similars AffyNet 
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
PanTherix Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibitory activity of the compound was determined with respect to EPSP (5-enolpyruvylshikimate- 3-phosphate) synthase |
Bioorg Med Chem Lett 13: 423-6 (2003)
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More data for this Ligand-Target Pair | |