Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
LigandBDBM119116
Substrate/Competitorn/a
IC50 2.5e+4±n/a nM
Citation Hrast, MSosic, ISink, RGobec, S Inhibitors of the peptidoglycan biosynthesis enzymes MurA-F. Bioorg Chem55:2-15 (2014) [PubMed]  Article
More Info.:Get all data from this article
 
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
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:
MISVTLSQLTDILNGELQGADITLDAVTTDTRKLTPGCLFVALKGERFDAHDFADQAKAG
GAGALLVSRPLDIDLPQLIVKDTRLAFGELAAWVRQQVPARVVALTGSSGKTSVKEMTAA
ILSQCGNTLYTAGNLNNDIGVPMTLLRLTPEYDYAVIELGANHQGEIAWTVSLTRPEAAL
VNNLAAAHLEGFGSLAGVAKAKGEIFSGLPENGIAIMNADNNDWLNWQSVIGSRKVWRFS
PNAANSDFTATNIHVTSHGTEFTLQTPTGSVDVLLPLPGRHNIANALAAAALSMSVGATL
DAIKAGLANLKAVPGRLFPIQLAENQLLLDDSYNANVGSMTAAVQVLAEMPGYRVLVVGD
MAELGAESEACHVQVGEAAKAAGIDRVLSVGKQSHAISTASGVGEHFADKTALITRLKLL
IAEQQVITILVKGSRSAAMEEVVRALQENGTC
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM119116
n/a
NameBDBM119116
Synonyms:MurF inhibitor (compound 58)
Typen/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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: