Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM119112
Substrate
n/a
IC50
8e+3±n/a nM
Citation
 Hrast, M; Sosic, I; Sink, R; Gobec, S Inhibitors of the peptidoglycan biosynthesis enzymes MurA-F. Bioorg Chem 55:2-15 (2014) [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:
BDBM119112
Synonyms:
MurF inhibitor (compound 54)
Type:
Small organic molecule
Emp. Form.:
C19H22ClN3O3S2
Mol. Mass.:
439.979
SMILES:
CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC1=C(C#N)C2CCCC2S1 |c:19|
Structure:
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