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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM85276
Substrate
n/a
Meas. Tech.
Enzymatic Assay
pH
8±0
Temperature
310.15±0 K
IC50
2.40e+5±n/a nM
Citation
 Sova, M; Kovac, A; Turk, S; Hrast, M; Blanot, D; Gobec, S Phosphorylated hydroxyethylamines as novel inhibitors of the bacterial cell wall biosynthesis enzymes MurC to MurF. Bioorg Chem 37:217-22 (2009) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Synonyms:
MURF_ECOLI | MurF (E. coli) | mra | murF
Type:
Protein
Mol. Mass.:
47439.03
Organism:
Escherichia coli
Description:
P11880
Residue:
452
Sequence:
MISVTLSQLTDILNGELQGADITLDAVTTDTRKLTPGCLFVALKGERFDAHDFADQAKAGGAGALLVSRPLDIDLPQLIVKDTRLAFGELAAWVRQQVPARVVALTGSSGKTSVKEMTAAILSQCGNTLYTAGNLNNDIGVPMTLLRLTPEYDYAVIELGANHQGEIAWTVSLTRPEAALVNNLAAAHLEGFGSLAGVAKAKGEIFSGLPENGIAIMNADNNDWLNWQSVIGSRKVWRFSPNAANSDFTATNIHVTSHGTEFTLQTPTGSVDVLLPLPGRHNIANALAAAALSMSVGATLDAIKAGLANLKAVPGRLFPIQLAENQLLLDDSYNANVGSMTAAVQVLAEMPGYRVLVVGDMAELGAESEACHVQVGEAAKAAGIDRVLSVGKQSHAISTASGVGEHFADKTALITRLKLLIAEQQVITILVKGSRSAAMEEVVRALQENGTC
  
Inhibitor
Name:
BDBM85276
Synonyms:
HEA derivative, 7c | MurC/D/E/F inhibitor (compound 68)
Type:
Small organic molecule
Emp. Form.:
C14H20F3N2O7PS
Mol. Mass.:
448.352
SMILES:
OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1
Structure:
Search PDB for entries with ligand similarity: