Reaction Details Report a problem with these data
Target
Penicillin-binding protein, transpeptidase domain protein
Ligand
BDBM50053175
Substrate
n/a
Meas. Tech.
ChEMBL_153668 (CHEMBL758012)
IC50
>300000±n/a nM
Citation
 Richter, HG; Angehrn, P; Hubschwerlen, C; Kania, M; Page, MG; Specklin, JL; Winkler, FK Design, synthesis, and evaluation of 2 beta-alkenyl penam sulfone acids as inhibitors of beta-lactamases. J Med Chem 39:3712-22 (1996) [PubMed]  Article 
Target
Name:
Penicillin-binding protein, transpeptidase domain protein
Synonyms:
Penicillin-binding protein | Penicillin-binding protein 2b
Type:
PROTEIN
Mol. Mass.:
77257.38
Organism:
Staphylococcus aureus
Description:
ChEMBL_153668
Residue:
691
Sequence:
MLKRLKEKSNDEIVQNTINKRINFIFGVIVFIFAVLVLRLGYLQIAQGSHYKQIIKNDENITVNESVPRGRILDRNGKVLVDNASKMAITYTRGRKTTQSEMLDTAEKLSKLIKMDTKKITERDKKDFWIQLHPKKAKAMMTKEQAMLADGSIKQDQYDKQLLSKIGKSQLDELSSKDLQVLAIFREMNAGTVLDPQMIKNEDVSEKEYAAVSQQLSKLPGVNTSMDWDRKYPYGDTLRGIFGDVSTPAEGIPKELTEHYLSKGYSRNDRVGKSYLEYQYEDVLRGKKKEMKYTTDKSGKVTSSEVLNPGARGQDLKLTIDIDLQKEVEALLDKQIKKLRSQGAKDMDNAMMVVQNPKNGDILALAGKQINKSGKMTDYDIGTFTSQFAVGSSVKGGTLLAGYQNKAIKVGETMVDEPLHFQGGLTKRSYFNKNGHVTINDKQALMHSSNVYMFKTALKLAGDPYYSGMALPSDISSPAQKLRRGLNQVGLGVKTGIDLPNETRGQIEPLTNNPGNYLDLSIGQYDTYTPLQLSQYVSTIANDGYRIQPHIGLTIHESTNKDEVGPLKKKINGTVLNKVNNTEKEIKQIQEGFKMAFNDKDGTGYVSFKDTVVPTAGKTGTAEVFQNGEPRVNSTYIGYAPIDDPKLAFSIVYTNQPVPPPWLTGGDLGRDVINYYFKQLGKDDKNKDKDK
  
Inhibitor
Name:
BDBM50053175
Synonyms:
(2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-5-yl-vinyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | CHEMBL333330
Type:
Small organic molecule
Emp. Form.:
C12H12N2O5S2
Mol. Mass.:
328.364
SMILES:
C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Structure:
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