Found 26 hits with Last Name = 'font' and Initial = 'jl' 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 |
3-phosphoshikimate 1-carboxyvinyltransferase
(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 |c:4| 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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| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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 |c:5| 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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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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 |c:5| 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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PC cid PC sid PDB UniChem
Similars
| PDB Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Potency against EPSP synthase |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(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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| CHEMBL PC cid PC sid UniChem
| Article
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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 |c:4| 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
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Similars
| Article
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50403592
(CHEMBL1627011)Show SMILES OC(=O)C(Oc1cc(OP(O)(O)=O)cc(c1)C([O-])=O)P(O)(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-1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50403590
(CHEMBL98868)Show SMILES OC(=O)C(Oc1cc(cc(c1O)C(O)(C(O)=O)C(O)=O)C(O)=O)P(O)(O)=O Show InChI InChI=1S/C12H11O14P/c13-6-4(12(22,10(18)19)11(20)21)1-3(7(14)15)2-5(6)26-9(8(16)17)27(23,24)25/h1-2,9,13,22H,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,23,24,25) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50403586
(CHEMBL97331)Show SMILES OC(=O)C(Oc1cc(OC(C(O)=O)P(O)(O)=O)cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C12H11O13P/c13-8(14)4-1-5(24-7(9(15)16)10(17)18)3-6(2-4)25-12(11(19)20)26(21,22)23/h1-3,7,12H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,21,22,23) | PDB MMDB
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| Article
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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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Similars
| Article
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280239
((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...)Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O |c:8| Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1 | PDB MMDB
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B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of the EPSP synthase by the compound expressed as weak apparent value |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50403589
(CHEMBL1160690)Show SMILES O[C@H]1CCC(=C[C@H]1OP(O)(O)=O)C(O)=O |r,c:4| Show InChI InChI=1S/C7H11O7P/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h3,5-6,8H,1-2H2,(H,9,10)(H2,11,12,13)/t5-,6+/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280239
((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...)Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O |c:8| Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1 | PDB MMDB
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| PC cid PC sid UniChem
| Article
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant of the at EPSP synthase was determined |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280241
((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...)Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1 | PDB MMDB
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B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article
| 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Potency against EPSP synthase |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280241
((3R,4S,5R)-5-amino-4-hydroxy-3-(phosphonatooxy)cyc...)Show SMILES N[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H12NO7P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,9H,1,8H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1 | PDB MMDB
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| PC cid PC sid UniChem
| Article
| 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
3-phosphoshikimate 1-carboxyvinyltransferase
(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
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| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 7.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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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| CHEMBL PC cid PC sid UniChem
Similars
| 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 Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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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| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | 2.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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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| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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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| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| n/a | n/a | 5.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280242
((3R,4S,5R)-4,5-Dihydroxy-3-phosphonooxy-cyclohex-1...)Show SMILES O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article
| n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant of the at EPSP synthase was determined |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280242
((3R,4S,5R)-4,5-Dihydroxy-3-phosphonooxy-cyclohex-1...)Show SMILES O[C@@H]1CC(=C[C@@H](OP([O-])([O-])=O)[C@H]1O)C([O-])=O |c:3| Show InChI InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/p-3/t4-,5-,6+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article
| n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(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 |c:5| 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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Similars
| PDB Article
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant against EPSP synthase |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50421383
(CHEMBL1627014)Show SMILES O[C@H]1[C@@H](CC(=C[C@H]1OP(O)(O)=O)C([O-])=O)O[C@](CF)(OP(O)(O)=O)C(O)=O |c:4| Show InChI InChI=1S/C10H15FO14P2/c11-3-10(9(15)16,25-27(20,21)22)23-5-1-4(8(13)14)2-6(7(5)12)24-26(17,18)19/h2,5-7,12H,1,3H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-1/t5-,6-,7+,10-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in Escherichia coli. |
Bioorg Med Chem Lett 6: 2853-2858 (1996)
Article DOI: 10.1016/S0960-894X(96)00527-6 BindingDB Entry DOI: 10.7270/Q2833SJZ |
More data for this Ligand-Target Pair | |
3-phosphoshikimate 1-carboxyvinyltransferase
(Escherichia coli (strain K12)) | BDBM50280239
((3-Carboxy-6-hydroxy-5-phosphonooxy-cyclohex-3-eny...)Show SMILES O[C@@H]1[C@H](OP([O-])([O-])=O)C=C(C[C@H]1[NH+](CC([O-])=O)CP([O-])([O-])=O)C([O-])=O |c:8| Show InChI InChI=1S/C10H17NO12P2/c12-8(13)3-11(4-24(17,18)19)6-1-5(10(15)16)2-7(9(6)14)23-25(20,21)22/h2,6-7,9,14H,1,3-4H2,(H,12,13)(H,15,16)(H2,17,18,19)(H2,20,21,22)/p-5/t6-,7-,9+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article
| n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Dissociation constant of the at EPSP synthase was determined |
Bioorg Med Chem Lett 2: 1435-1440 (1992)
Article DOI: 10.1016/S0960-894X(00)80527-2 BindingDB Entry DOI: 10.7270/Q2XD1244 |
More data for this Ligand-Target Pair | 3D Structure (docked) |