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Target
1-deoxy-D-xylulose-5-phosphate synthase
Ligand
BDBM92962
Substrate
n/a
Meas. Tech.
ChEMBL_1441272 (CHEMBL3380662)
Kd
114±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_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:
BDBM92962
Synonyms:
ThDP
Type:
Small molecule
Emp. Form.:
C12H19N4O7P2S
Mol. Mass.:
425.314
SMILES:
Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N
Structure:
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