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Target
1-deoxy-D-xylulose-5-phosphate synthase
Ligand
BDBM50026351
Substrate
n/a
Meas. Tech.
ChEMBL_1441269 (CHEMBL3380659)
IC50
3100±n/a nM
Citation
 Masini, T; Hirsch, AK Development of inhibitors of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway enzymes as potential anti-infective agents. J Med Chem 57:9740-63 (2014) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose-5-phosphate synthase
Synonyms:
1-deoxy-D-xylulose-5-phosphate synthase | 1-deoxyxylulose-5-phosphate synthase | DXP synthase | DXPS | DXS_HAEI8 | dxs
Type:
PROTEIN
Mol. Mass.:
68590.64
Organism:
Haemophilus influenzae (strain 86-028NP)
Description:
ChEMBL_109723
Residue:
625
Sequence:
MTNNMNNYPLLSLINSPEDLRLLNKDQLPQLCQELRAYLLESVSQTSGHLASGLGTVELTVALHYVYKTPFDQLIWDVGHQAYPHKILTGRREQMSTIRQKDGIHPFPWREESEFDVLSVGHSSTSISAGLGIAVAAERENAGRKTVCVIGDGAITAGMAFEALNHAGALHTDMLVILNDNEMSISENVGALNNHLARIFSGSLYSTLRDGSKKILDKVPPIKNFMKKTEEHMKGVMFSPESTLFEELGFNYIGPVDGHNIDELVAMLTNMRNLKGPQFLHIKTKKGKGYAPAEKDPIGFHGVPKFDPISGELPKNNSKPTYSKIFGDWLCEMAEKDAKIIGITPAMREGSGMVEFSQRFPKQYFDVAIAEQHTVTFATGLAIGGYKPVVAIYSTFLQRAYDQLIHDVAIQNLPVLFAIDRAGIVGADGATHQGAFDISFMRCIPNMIIMTPSDENECRQMLYTGYQCGKPAAVRYPRGNAVGVKLTPLEMLPIGKSRLIRKGQKIAILNFGTLLPSALELSEKLNATVVDMRFVKPIDIEMINVLAQTHDYLVTLEENAIQGGAGSAVAEVLNSSGKSTALLQLGLPDYFIPQATRQEALADLGLDTKGIEEKILNFIAKQGNL
  
Inhibitor
Name:
BDBM50026351
Synonyms:
CHEMBL3359032
Type:
Small organic molecule
Emp. Form.:
C12H16ClNO3
Mol. Mass.:
257.713
SMILES:
CC(C)(CO)C(=O)N(O)Cc1ccccc1Cl
Structure:
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