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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM119114
Substrate
n/a
IC50
22±0.0 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:
BDBM119114
Synonyms:
MurF inhibitor (compound 56)
Type:
Small organic molecule
Emp. Form.:
C26H25Cl2N3O5S2
Mol. Mass.:
594.53
SMILES:
Oc1ccc(cc1)[C@@H]1CCC2C(C1)SC(NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)=C2C#N |r,c:38|
Structure:
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