Reaction Details
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1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM25290
Substrate
n/a
Meas. Tech.
ChEMBL_423083 (CHEMBL910465)
IC50
245000±n/a nM
Citation
Leon, A; Liu, L; Yang, Y; Hudock, MP; Hall, P; Yin, F; Studer, D; Puan, KJ; Morita, CT; Oldfield, E Isoprenoid biosynthesis as a drug target: bisphosphonate inhibition of Escherichia coli K12 growth and synergistic effects of fosmidomycin. J Med Chem 49:7331-41 (2006) [PubMed] Article More Info.:
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:
BDBM25290
Synonyms:
CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[methyl(4-phenylbutyl)amino]-1-phosphonopropyl}phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C14H25NO7P2
Mol. Mass.:
381.2983
SMILES:
CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Structure:
