BDBM50024894 (1R, 2S)-1,2-epoxypropyl-phosphonic acid::(2R,3S)-3-methyloxiran-2-ylphosphonate::(2R,3S)-3-methyloxiran-2-ylphosphonic acid::(3-Methyl-oxiranyl)-phosphonic acid(Na salt)::CHEMBL1757::FOSFOMYCIN::Fosfomycin (compound 1)::Fosfomycin Calcium::Fosfomycin Sodium::Monurol::phosphomycin
SMILES: C[C@@H]1O[C@@H]1P(O)(O)=O
InChI Key: InChIKey=YMDXZJFXQJVXBF-STHAYSLISA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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MurA (E. coli) (Escherichia coli K-12 (Enterobacteria)) | BDBM50024894 ((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia | Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria)) | BDBM50024894 ((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli K12 Mur A in presence of UNAG | Bioorg Med Chem Lett 16: 5605-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.021 BindingDB Entry DOI: 10.7270/Q20Z742G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria)) | BDBM50024894 ((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana Curated by ChEMBL | Assay Description Inhibition of Escherichia coli K-12 MBP-fused C-terminal His-tagged MurA (6508 to 7768 residues) using UNAG as substrate preincubated for 10 mins fol... | Bioorg Med Chem Lett 27: 944-949 (2017) Article DOI: 10.1016/j.bmcl.2016.12.082 BindingDB Entry DOI: 10.7270/Q2ZS2ZSW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurA (E. coli) (Escherichia coli K-12 (Enterobacteria)) | BDBM50024894 ((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Heidelberg University Curated by ChEMBL | Assay Description Inhibition of Escherichia coli MurA expressed in Escherichia coli BL21(lamdaDE3) using UNAG and PEP as substrate incubated for 10 mins prior to PEP a... | Bioorg Med Chem 21: 795-804 (2013) Article DOI: 10.1016/j.bmc.2012.11.018 BindingDB Entry DOI: 10.7270/Q2HM59SD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MurA (P. aeruginosa) (Pseudomonas aeruginosa (G-proteobacteria)) | BDBM50024894 ((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University Curated by ChEMBL | Assay Description Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG | Bioorg Med Chem Lett 16: 5605-9 (2006) Article DOI: 10.1016/j.bmcl.2006.08.021 BindingDB Entry DOI: 10.7270/Q20Z742G | |||||||||||
More data for this Ligand-Target Pair |