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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

Data: 4 IC50

PDB links: 11 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50024894   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
MurA (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50024894
PNG
((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...)
Show SMILES C[C@@H]1O[C@@H]1P(O)(O)=O
Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurA (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50024894
PNG
((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...)
Show SMILES C[C@@H]1O[C@@H]1P(O)(O)=O
Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 100n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
MurA (P. aeruginosa)


(Pseudomonas aeruginosa (G-proteobacteria))
BDBM50024894
PNG
((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...)
Show SMILES C[C@@H]1O[C@@H]1P(O)(O)=O
Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
MurA (E. coli)


(Escherichia coli K-12 (Enterobacteria))
BDBM50024894
PNG
((1R, 2S)-1,2-epoxypropyl-phosphonic acid | (2R,3S)...)
Show SMILES C[C@@H]1O[C@@H]1P(O)(O)=O
Show InChI InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/a 118n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair