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Target
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Ligand
BDBM31907
Substrate
BDBM10852
Meas. Tech.
SPR Biosensor Assay
pH
7±n/a
Temperature
283.15±n/a K
Comments
Inactive.
Citation
 Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy. J Med Chem 52:2531-42 (2009) [PubMed]  Article 
Target
Name:
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Synonyms:
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) | ISPF_ECOLI | MECDP-synthase | MECPS | ispF | mecS | ygbB
Type:
Homotrimer
Mol. Mass.:
16897.34
Organism:
Escherichia coli (strain K12)
Description:
P62617
Residue:
159
Sequence:
MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
  
Inhibitor
Name:
BDBM31907
Synonyms:
5-oxopentanoic acid, 4
Type:
Small organic molecule
Emp. Form.:
C12H15NO5
Mol. Mass.:
253.2512
SMILES:
OC(=O)CCCC(=O)NC1=CC2OCOC2C=C1 |c:17,t:9|
Structure:
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Substrate