Target
1-deoxy-D-xylulose-5-phosphate synthase
Ligand
BDBM50026352
Substrate
n/a
Meas. Tech.
ChEMBL_1441270 (CHEMBL3380660)
IC50
595000±n/a nM
Citation
 Masini, THirsch, 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_DEIRA | dxs
Type:
PROTEIN
Mol. Mass.:
67636.69
Organism:
Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 /LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422)
Description:
ChEMBL_109727
Residue:
629
Sequence:
MNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFFDPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV
  
Inhibitor
Name:
BDBM50026352
Synonyms:
CHEMBL3359034
Type:
Small organic molecule
Emp. Form.:
C15H11F3N2O
Mol. Mass.:
292.2558
SMILES:
FC(F)(F)Oc1cccc(Cn2cnc3ccccc23)c1
Structure:
Search PDB for entries with ligand similarity: