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Target
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Ligand
BDBM50502708
Substrate
n/a
Meas. Tech.
ChEMBL_1808268 (CHEMBL4307627)
IC50
37012±n/a nM
Citation
 Watkins, SM; Ghose, D; Blain, JM; Grote, DL; Luan, CH; Clare, M; Meganathan, R; Horn, JR; Hagen, TJ Antibacterial activity of 2-amino-4-hydroxypyrimidine-5-carboxylates and binding to Burkholderia pseudomallei 2-C-methyl-d-erythritol-2,4-cyclodiphosphate synthase. Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article 
Target
Name:
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Synonyms:
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | 4.6.1.12 | ISPF_SALTY | MECDP-synthase | MECPP-synthase | MECPS | ispF
Type:
PROTEIN
Mol. Mass.:
16899.38
Organism:
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Description:
ChEMBL_119647
Residue:
159
Sequence:
MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIACEAVALLMKAAK
  
Inhibitor
Name:
BDBM50502708
Synonyms:
CHEMBL3222163
Type:
Small organic molecule
Emp. Form.:
C21H16Br2N2O4S2
Mol. Mass.:
584.301
SMILES:
CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2C1c1cccs1 |c:5,t:8|
Structure:
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