Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50181153
Substrate
n/a
Meas. Tech.
ChEMBL_810561 (CHEMBL2015311)
IC50
320±n/a nM
Citation
 Ponaire, SZinglé, CTritsch, DGrosdemange-Billiard, CRohmer, M Growth inhibition of Mycobacterium smegmatis by prodrugs of deoxyxylulose phosphate reducto-isomerase inhibitors, promising anti-mycobacterial agents. Eur J Med Chem 51:277-85 (2012) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Synonyms:
2-C-methyl-D-erythritol 4-phosphate synthase | DXP reductoisomerase | DXR_MYCS2 | dxr
Type:
PROTEIN
Mol. Mass.:
41046.78
Organism:
Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)
Description:
ChEMBL_810561
Residue:
398
Sequence:
MTTSAASGEPGRQRVLILGSTGSIGTQALEVIAANPDRFEVVGLAAGGGNPELLAAQRAQTGVAAVAVADPAAAEAVGDVRYSGPDAVTRLVEDTEADVVLNALVGALGLQPTLAALATGARLALANKESLVAGGPLVLKAAAPGQIVPVDSEHSAMAQCLRGGTRAELDKIVLTASGGPFLGWSAEDLKSVTPEQAGKHPTWSMGPMNTLNSATLVNKGLELIETHLLFGVDYDDIDVVVHPQSIVHSMATFTDGSTLAQASPPDMKLPIALALGWPDRIAGAAAACDFSTASTWEFLPLDNAVFPAVDLARFAGKQGGCLTAVYNSANEEAAEAFLDGRIGFPDIVETVGDVLHAADRWAAEPATVDDVLDAQRWAREQARGVVEQKSVRRGLVTK
  
Inhibitor
Name:
BDBM50181153
Synonyms:
3-(N-hydroxyacetamido)propylphosphonic acid | 3-(N-hydroxyformamido)propylphosphonic acid | CHEMBL205338 | FR-900098 | ammonium 3-(N-hydroxyacetamido)propylphosphonate
Type:
Small organic molecule
Emp. Form.:
C5H12NO5P
Mol. Mass.:
197.1262
SMILES:
CC(=O)N(O)CCCP(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: