Reaction Details Report a problem with these data
Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50181153
Substrate
n/a
Meas. Tech.
ChEMBL_702118 (CHEMBL1655348)
IC50
30±n/a nM
Citation
 Deng, L; Endo, K; Kato, M; Cheng, G; Yajima, S; Song, Y Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes. ACS Med Chem Lett 2:165-170 (2011) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Synonyms:
1-Deoxy-D-xylulose 5-phosphate reductoisomerase (DXP) | 1-Deoxyxylulose 5-phosphate reductoisomerase (DXR) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | 2-C-methyl-D-erythritol 4-phosphate synthase | DXP reductoisomerase | DXR_ECOLI | dxr | ispC | yaeM
Type:
Protein
Mol. Mass.:
43384.52
Organism:
Escherichia coli
Description:
P45568
Residue:
398
Sequence:
MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
  
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: