Target
1-deoxy-D-xylulose-5-phosphate synthase
Ligand
BDBM108227
Substrate
n/a
Meas. Tech.
DXP Synthase Inhibition Assay
pH
8±n/a
Temperature
310.15±n/a K
IC50
8.44e+5± 1.70e+5 nM
Comments
extracted
Citation
 Morris, FVierling, RBoucher, LBosch, JFreel Meyers, CL DXP synthase-catalyzed C-N bond formation: nitroso substrate specificity studies guide selective inhibitor design. Chembiochem 14:1309-15 (2013) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose-5-phosphate synthase
Synonyms:
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) | DXS_ECOLI | dxs | yajP
Type:
Protein
Mol. Mass.:
67617.17
Organism:
Escherichia coli K-12 (Enterobacteria)
Description:
n/a
Residue:
620
Sequence:
MSFDIAKYPTLALVDSTQELRLLPKESLPKLCDELRRYLLDSVSRSSGHFASGLGTVELTVALHYVYNTPFDQLIWDVGHQAYPHKILTGRRDKIGTIRQKGGLHPFPWRGESEYDVLSVGHSSTSISAGIGIAVAAEKEGKNRRTVCVIGDGAITAGMAFEAMNHAGDIRPDMLVILNDNEMSISENVGALNNHLAQLLSGKLYSSLREGGKKVFSGVPPIKELLKRTEEHIKGMVVPGTLFEELGFNYIGPVDGHDVLGLITTLKNMRDLKGPQFLHIMTKKGRGYEPAEKDPITFHAVPKFDPSSGCLPKSSGGLPSYSKIFGDWLCETAAKDNKLMAITPAMREGSGMVEFSRKFPDRYFDVAIAEQHAVTFAAGLAIGGYKPIVAIYSTFLQRAYDQVLHDVAIQKLPVLFAIDRAGIVGADGQTHQGAFDLSYLRCIPEMVIMTPSDENECRQMLYTGYHYNDGPSAVRYPRGNAVGVELTPLEKLPIGKGIVKRRGEKLAILNFGTLMPEAAKVAESLNATLVDMRFVKPLDEALILEMAASHEALVTVEENAIMGGAGSGVNEVLMAHRKPVPVLNIGLPDFFIPQGTQEEMRAELGLDAAGMEAKIKAWLA
  
Inhibitor
Name:
BDBM108227
Synonyms:
NDMA (Substrate 4)
Type:
Small organic molecule
Emp. Form.:
C8H10N2O
Mol. Mass.:
150.1778
SMILES:
CN(C)c1ccc(cc1)N=O
Structure:
Search PDB for entries with ligand similarity: