Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50033680
Substrate
n/a
Meas. Tech.
ChEMBL_41055 (CHEMBL648219)
IC50
977000±n/a nM
Citation
 Buynak, JD; Doppalapudi, VR; Rao, AS; Nidamarthy, SD; Adam, G The synthesis and evaluation of 2-substituted-7-(alkylidene)cephalosporin sulfones as beta-lactamase inhibitors. Bioorg Med Chem Lett 10:847-51 (2000) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
BLAC_STAAU | Beta-lactamase TEM | Penicillinase | blaZ
Type:
PROTEIN
Mol. Mass.:
31367.53
Organism:
Staphylococcus aureus
Description:
ChEMBL_41052
Residue:
281
Sequence:
MKKLIFLIVIALVLSACNSNSSHAKELNDLEKKYNAHIGVYALDTKSGKEVKFNSDKRFAYASTSKAINSAILLEQVPYNKLNKKVHINKDDIVAYSPILEKYVGKDITLKALIEASMTYSDNTANNKIIKEIGGIKKVKQRLKELGDKVTNPVRYEIELNYYSPKSKKDTSTPAAFGKTLNKLIANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVADKSGQAITYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETAKSVMKEF
  
Inhibitor
Name:
BDBM50033680
Synonyms:
CHEMBL268919 | Sodium; (R)-3-acetoxymethyl-7-[1-tert-butoxycarbonyl-meth-(Z)-ylidene]-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C16H18NO9S
Mol. Mass.:
400.381
SMILES:
CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
Structure:
Search PDB for entries with ligand similarity: