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Target
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase
Ligand
BDBM50371259
Substrate
n/a
Meas. Tech.
ChEMBL_463169 (CHEMBL946185)
IC50
22±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:
MurF (S. pneumoniae) | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF) | UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase
Type:
Protein
Mol. Mass.:
50482.72
Organism:
Streptococcus pneumoniae (Firmicutes)
Description:
S. pneumoniae MurF
Residue:
457
Sequence:
MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFENGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAHLLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAIVTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPIDKKVVRFGQGAELEITDLVERKDSLTFKANFLEQALDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQHLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKELGDQSVQLHNQMILSLSPDVLDIVIFYGEDIAQLAQLASQMFPIGHVYYFKKTEDQDQFEDLVKQVKESLGAHDQILLKGSNSMNLAKLVESLENEDK
  
Inhibitor
Name:
BDBM50371259
Synonyms:
CHEMBL272818
Type:
Small organic molecule
Emp. Form.:
C26H23Cl2N3O5S2
Mol. Mass.:
592.514
SMILES:
Oc1ccc(cc1)C1CCc2sc(NC(=O)c3cc(c(Cl)cc3Cl)S(=O)(=O)N3CCOCC3)c(C#N)c2C1 |w:7.7|
Structure:
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