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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50371267
Substrate
n/a
Meas. Tech.
ChEMBL_463171 (CHEMBL946187)
IC50
>5100000±n/a nM
Citation
 Taha, MO; Atallah, N; Al-Bakri, AG; Paradis-Bleau, C; Zalloum, H; Younis, KS; Levesque, RC Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening. Bioorg Med Chem 16:1218-35 (2008) [PubMed]  Article 
Target
Name:
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
47381.53
Organism:
Pseudomonas aeruginosa
Description:
ChEMBL_463171
Residue:
458
Sequence:
MLEPLRLSQLTVALDARLIGEDAVFSAVSTDSRAIGPGQLFIALSGPRFDGHDYLAEVAAKGAVAALVEREVADAPLPQLLVRDTRAALGRLGALNRRKFTGPLAAMTGSSGKTAVKEMLASILRTQAGDAESVLATRGNLNNDLGVPLTLLQLAPQHRSAVIELGASRIGEIAYTVELTRPHVAIITNAGTAHVGEFGGPEKIVEAKGEILEGLAADGTAVLNLDDKAFDTWKARASGRPLLTFSLDRPQADFRAADLQRDARGCMGFRLQGVAGEAQVQLNLLGRHNVANALAAAAAAHALGVPLDGIVAGLQALQPVKGRAVAQLTASGLRVIDDSYNANPASMLAAIDILSGFSGRTVLVLGDMGELGSWAEQAHREVGAYAAGKVSALYAVGPLMAHAVQAFGATGRHFADQASLIGALATEQPTTTILIKGSRSAAMDKVVAALCGSSEESH
  
Inhibitor
Name:
BDBM50371267
Synonyms:
CHEMBL257680 | NSC-371832
Type:
Small organic molecule
Emp. Form.:
C17H16N4O6S
Mol. Mass.:
404.397
SMILES:
CCOC(=O)Cn1c2ccc(OC)cc2s\c1=N/N=C/c1ccc(o1)[N+]([O-])=O
Structure:
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