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Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50441207
Substrate
n/a
Meas. Tech.
ChEMBL_983995 (CHEMBL2434044)
IC50
15000±n/a nM
Citation
 Kunfermann, A; Lienau, C; Illarionov, B; Held, J; Gräwert, T; Behrendt, CT; Werner, P; Hähn, S; Eisenreich, W; Riederer, U; Mordmüller, B; Bacher, A; Fischer, M; Groll, M; Kurz, T IspC as target for antiinfective drug discovery: synthesis, enantiomeric separation, and structural biology of fosmidomycin thia isosters. J Med Chem 56:8151-62 (2013) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Synonyms:
DXR_MYCTU | dxr
Type:
PROTEIN
Mol. Mass.:
42846.92
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_1474510
Residue:
413
Sequence:
MTNSTDGRADGRLRVVVLGSTGSIGTQALQVIADNPDRFEVVGLAAGGAHLDTLLRQRAQTGVTNIAVADEHAAQRVGDIPYHGSDAATRLVEQTEADVVLNALVGALGLRPTLAALKTGARLALANKESLVAGGSLVLRAARPGQIVPVDSEHSALAQCLRGGTPDEVAKLVLTASGGPFRGWSAADLEHVTPEQAGAHPTWSMGPMNTLNSASLVNKGLEVIETHLLFGIPYDRIDVVVHPQSIIHSMVTFIDGSTIAQASPPDMKLPISLALGWPRRVSGAAAACDFHTASSWEFEPLDTDVFPAVELARQAGVAGGCMTAVYNAANEEAAAAFLAGRIGFPAIVGIIADVLHAADQWAVEPATVDDVLDAQRWARERAQRAVSGMASVAIASTAKPGAAGRHASTLERS
  
Inhibitor
Name:
BDBM50441207
Synonyms:
CHEMBL2431011
Type:
Small organic molecule
Emp. Form.:
C9H12NO5PS
Mol. Mass.:
277.234
SMILES:
ONC(=O)CSC(c1ccccc1)P(O)(O)=O
Structure:
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