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Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50528592
Substrate
n/a
Meas. Tech.
ChEMBL_1905459 (CHEMBL4407817)
IC50
80000±n/a nM
Citation
 Lienau, C; Gräwert, T; Alves Avelar, LA; Illarionov, B; Held, J; Knaab, TC; Lungerich, B; van Geelen, L; Meier, D; Geissler, S; Cynis, H; Riederer, U; Buchholz, M; Kalscheuer, R; Bacher, A; Mordmüller, B; Fischer, M; Kurz, 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:
BDBM50528592
Synonyms:
CHEMBL4458458
Type:
Small organic molecule
Emp. Form.:
C12H18NO9PS
Mol. Mass.:
383.311
SMILES:
COc1cc(OC)cc(c1)C(P(O)(O)=O)S(=O)(=O)CC(=O)N(C)O
Structure:
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