Reaction Details Report a problem with these data
Target
Penicillin-binding protein 3
Ligand
BDBM50218764
Substrate
n/a
Meas. Tech.
ChEMBL_153204 (CHEMBL763706)
IC50
>545000±n/a nM
Citation
 Chen, Z; Demuth, TP; Wireko, FC Stereoselective synthesis and antibacterial evaluation of 4-amido-isothiazolidinone oxides. Bioorg Med Chem Lett 11:2111-5 (2001) [PubMed]  Article 
Target
Name:
Penicillin-binding protein 3
Synonyms:
Penicillin-binding protein 3
Type:
PROTEIN
Mol. Mass.:
77276.93
Organism:
Staphylococcus aureus
Description:
ChEMBL_100046
Residue:
691
Sequence:
MLKRLKEKSNDEIVQNTINKRINFIFGVIVFIFAVLVLRLGYLQIAQGSHYKQIIKNDENITVNESVPRGRILDRNGKVLVDNASKMAITYTRGRKTTQSEMLDTAEKLSKLIKMDTKKITERDKKDFWIQLHPKKAKAMMTKEQAMLADGSIKQDQYDKQLLSKIGKSQLDELSSKDLQVLAIFREMNAGTVLDPQMIKNEDVSEKEYAAVSQQLSKLPGVNTSMDWDRKYPYGDTLRGIFGDVSTPAEGIPKELTEHYLSKGYSRNDRVGKSYLEYQYEDVLRGKKKEMKYTTDKSGKVTSSEVLNPGARGQDLKLTIDIDLQKEVEALLDKQIKKLRSQGAKDMDNAMMVVQNPKNGDILALAGKQINKSGKMTDYDIGTFTSQFAVGSSVKGGTLLAGYQNKAIKVGETMVDEPLHFQGGLTKRSYFNKNGHVTINDKQALMRSSNVYMFKTALKLAGDPYYSGMALPSDISSPAQKLRRGLNQVGLGVKTGIDLPNETRGQIEPLTNNPGNYLDLSIGQYDTYTPLQLSQYVSTIANDGYRIQPHIGLTIHESTNKDEVGPLKKKINGTVLNKVNNTEKEIKQIQEGFKMAFNDKDGTGYVSFKDTVVPTAGKTGTAEVFQNGEPRVNSTYIGYAPIDDPKLAFSIVYTNQPVPPPWLTGGDLGRDVINYYFKQLGKDDKNKDKDK
  
Inhibitor
Name:
BDBM50218764
Synonyms:
CHEMBL67669
Type:
Small organic molecule
Emp. Form.:
C23H26N2O6S
Mol. Mass.:
458.527
SMILES:
CC(C)[C@@H](N1[S+]([O-])C[C@H](NC(=O)COc2ccccc2)C1=O)C(=O)OCc1ccccc1 |r|
Structure:
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