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Target
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Ligand
BDBM50194153
Substrate
n/a
Meas. Tech.
ChEMBL_1280332 (CHEMBL3095347)
Kd
75000±n/a nM
Citation
 Zhang, Z; Jakkaraju, S; Blain, J; Gogol, K; Zhao, L; Hartley, RC; Karlsson, CA; Staker, BL; Edwards, TE; Stewart, LJ; Myler, PJ; Clare, M; Begley, DW; Horn, JR; Hagen, TJ Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei. Bioorg Med Chem Lett 23:6860-3 (2013) [PubMed]  Article 
Target
Name:
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Synonyms:
MECDP-synthase | MECPP-synthase | MECPS | ISPF_BURPS | ispF | mecS
Type:
PROTEIN
Mol. Mass.:
17174.90
Organism:
Burkholderia pseudomallei (strain K96243)
Description:
ChEMBL_107981
Residue:
162
Sequence:
MDFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVREAAA
  
Inhibitor
Name:
BDBM50194153
Synonyms:
5'-CDP | Cytidine 5'-pyrophosphate | CDP | Cytidine | Cytidine, 5'-(trihydrogen pyrophosphate) | Cytidine 5'-diphosphoric acid | CHEMBL425252 | cytidine 5'-(trihydrogen diphosphate)
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
403.02
SMILES:
Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
Structure:
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