Reaction Details Report a problem with these data
Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM119116
Substrate
n/a
IC50
2.5e+4±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:
BDBM119116
Synonyms:
MurF inhibitor (compound 58)
Type:
n/a
Emp. Form.:
C25H28ClN6O3S
Mol. Mass.:
528.046
SMILES:
[#7]\[#6](-[#7])=[#7+]\[#6]-[#6]-[#8]-c1ccc(Cl)c(c1)-[#6](=O)-[#7]-[#6]-1=[#6](C#N)-[#6]-2-[#6]-[#6]-[#7](-[#6]-c3ccc(-[#8])cc3)-[#6]-[#6]-2-[#16]-1 |c:18|
Structure:
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