Reaction Details Report a problem with these data
Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50347582
Substrate
n/a
Meas. Tech.
ChEMBL_755773 (CHEMBL1803440)
Ki
12400±n/a nM
Citation
 Deng, L; Diao, J; Chen, P; Pujari, V; Yao, Y; Cheng, G; Crick, DC; Prasad, BV; Song, Y Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. J Med Chem 54:4721-34 (2011) [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:
BDBM50347582
Synonyms:
CHEMBL1801642
Type:
Small organic molecule
Emp. Form.:
C5H7N2O3P
Mol. Mass.:
174.0944
SMILES:
OP(O)(=O)Cc1ccncn1
Structure:
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