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Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50044967
Substrate
n/a
Meas. Tech.
ChEMBL_1448371 (CHEMBL3376290)
IC50
3200±n/a nM
Citation
 Zinglé, C; Tritsch, D; Grosdemange-Billiard, C; Rohmer, M Catechol-rhodanine derivatives: Specific and promiscuous inhibitors of Escherichia coli deoxyxylulose phosphate reductoisomerase (DXR). Bioorg Med Chem 22:3713-9 (2014) [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:
BDBM50044967
Synonyms:
CHEMBL3309759
Type:
Small organic molecule
Emp. Form.:
C24H17ClN2O5S2
Mol. Mass.:
512.985
SMILES:
Oc1ccc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)cc1O
Structure:
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