Reaction Details Report a problem with these data
Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50437796
Substrate
n/a
Meas. Tech.
ChEMBL_973762 (CHEMBL2412045)
Kd
90±n/a nM
Citation
 Jansson, AM; Wieckowska, A; Björkelid, C; Yahiaoui, S; Sooriyaarachchi, S; Lindh, M; Bergfors, T; Dharavath, S; Desroses, M; Suresh, S; Andaloussi, M; Nikhil, R; Sreevalli, S; Srinivasa, BR; Larhed, M; Jones, TA; Karlén, A; Mowbray, SL DXR inhibition by potent mono- and disubstituted fosmidomycin analogues. J Med Chem 56:6190-9 (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:
BDBM50437796
Synonyms:
CHEMBL2407187
Type:
Small organic molecule
Emp. Form.:
C17H15Cl2F3NO6P
Mol. Mass.:
488.18
SMILES:
ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1OC(F)(F)F
Structure:
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