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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50371271
Substrate
n/a
Meas. Tech.
ChEMBL_463171 (CHEMBL946187)
IC50
>5000000±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:
BDBM50371271
Synonyms:
CHEMBL271601
Type:
Small organic molecule
Emp. Form.:
C26H18N4O8S2
Mol. Mass.:
578.573
SMILES:
Oc1ccc(N=Nc2ccc(c3ccccc23)S(O)(=O)=O)c(O)c1N=Nc1ccc(c2ccccc12)S(O)(=O)=O |w:5.4,25.28|
Structure:
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