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Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50081650
Substrate
n/a
Meas. Tech.
ChEMBL_1474510 (CHEMBL3423799)
IC50
6670±n/a nM
Citation
 Chofor, R; Sooriyaarachchi, S; Risseeuw, MD; Bergfors, T; Pouyez, J; Johny, C; Haymond, A; Everaert, A; Dowd, CS; Maes, L; Coenye, T; Alex, A; Couch, RD; Jones, TA; Wouters, J; Mowbray, SL; Van Calenbergh, S Synthesis and bioactivity of฿-substituted fosmidomycin analogues targeting 1-deoxy-D-xylulose-5-phosphate reductoisomerase. J Med Chem 58:2988-3001 (2015) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Synonyms:
DXR_MYCTU | dxr
Type:
PROTEIN
Mol. Mass.:
42846.92
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_1474510
Residue:
413
Sequence:
MTNSTDGRADGRLRVVVLGSTGSIGTQALQVIADNPDRFEVVGLAAGGAHLDTLLRQRAQTGVTNIAVADEHAAQRVGDIPYHGSDAATRLVEQTEADVVLNALVGALGLRPTLAALKTGARLALANKESLVAGGSLVLRAARPGQIVPVDSEHSALAQCLRGGTPDEVAKLVLTASGGPFRGWSAADLEHVTPEQAGAHPTWSMGPMNTLNSASLVNKGLEVIETHLLFGIPYDRIDVVVHPQSIIHSMVTFIDGSTIAQASPPDMKLPISLALGWPRRVSGAAAACDFHTASSWEFEPLDTDVFPAVELARQAGVAGGCMTAVYNAANEEAAAAFLAGRIGFPAIVGIIADVLHAADQWAVEPATVDDVLDAQRWARERAQRAVSGMASVAIASTAKPGAAGRHASTLERS
  
Inhibitor
Name:
BDBM50081650
Synonyms:
CHEMBL3422256
Type:
Small organic molecule
Emp. Form.:
C15H23NNaO5P
Mol. Mass.:
351.3104
SMILES:
[Na+].CN(O)C(=O)CC(CCCCc1ccccc1)CP(O)([O-])=O
Structure:
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