Reaction Details Report a problem with these data
Target
Penicillin-binding protein 3
Ligand
BDBM50218769
Substrate
n/a
Meas. Tech.
ChEMBL_153204 (CHEMBL763706)
IC50
>494000±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:
BDBM50218769
Synonyms:
CHEMBL67628
Type:
Small organic molecule
Emp. Form.:
C13H14F3N5O9S2
Mol. Mass.:
505.404
SMILES:
OC(=O)C(F)(F)F.CO\N=C(\C(=O)NC1CS(=O)(=O)N(CC(O)=O)C1=O)c1csc(N)n1
Structure:
Search PDB for entries with ligand similarity: