Reaction Details Report a problem with these data
Target
1-deoxy-D-xylulose 5-phosphate reductoisomerase
Ligand
BDBM50028362
Substrate
n/a
Meas. Tech.
ChEMBL_1436199 (CHEMBL3386561)
IC50
70±n/a nM
Citation
 Konzuch, S; Umeda, T; Held, J; Hähn, S; Brücher, K; Lienau, C; Behrendt, CT; Gräwert, T; Bacher, A; Illarionov, B; Fischer, M; Mordmüller, B; Tanaka, N; Kurz, T Binding modes of reverse fosmidomycin analogs toward the antimalarial target IspC. J Med Chem 57:8827-38 (2014) [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:
BDBM50028362
Synonyms:
CHEMBL3341763
Type:
Small organic molecule
Emp. Form.:
C12H18NO6P
Mol. Mass.:
303.2482
SMILES:
COc1ccc(cc1)C(CCC(=O)N(C)O)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: