Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50528593
Substrate
n/a
Meas. Tech.
ChEMBL_1905459 (CHEMBL4407817)
IC50
18±n/a nM
Citation
 Lienau, CGräwert, TAlves Avelar, LAIllarionov, BHeld, JKnaab, TCLungerich, Bvan Geelen, LMeier, DGeissler, SCynis, HRiederer, UBuchholz, MKalscheuer, RBacher, AMordmüller, BFischer, MKurz, T Novel reverse thia-analogs of fosmidomycin: Synthesis and antiplasmodial activity. Eur J Med Chem 181:0 (2019) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Synonyms:
1-Deoxy-D-xylulose 5-phosphate reductoisomerase (DXP) | 1-Deoxyxylulose 5-phosphate reductoisomerase (DXR) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | 2-C-methyl-D-erythritol 4-phosphate synthase | DXP reductoisomerase | DXR_ECOLI | dxr | ispC | yaeM
Type:
Protein
Mol. Mass.:
43384.52
Organism:
Escherichia coli
Description:
P45568
Residue:
398
Sequence:
MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
  
Inhibitor
Name:
BDBM50528593
Synonyms:
CHEMBL4590343
Type:
Small organic molecule
Emp. Form.:
C10H12F2NO5PS
Mol. Mass.:
327.242
SMILES:
CN(O)C(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: