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Target
Beta-lactamase
Ligand
BDBM50079689
Substrate
n/a
Meas. Tech.
ChEMBL_41050 (CHEMBL650472)
IC50
26±n/a nM
Citation
 Buynak, JD; Rao, AS; Doppalapudi, VR; Adam, G; Petersen, PJ; Nidamarthy, SD The synthesis and evaluation of 6-alkylidene-2'beta-substituted penam sulfones as beta-lactamase inhibitors. Bioorg Med Chem Lett 9:1997-2002 (1999) [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:
BDBM50079689
Synonyms:
CHEMBL303053 | Sodium; (2S,3R)-3-[2-(3,4-dihydroxy-phenyl)-acetoxymethyl]-3-methyl-4,4,7-trioxo-6-[1-pyridin-2-yl-meth-(Z)-ylidene]-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H19N2O9S
Mol. Mass.:
487.46
SMILES:
C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
Structure:
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