Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM39849
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±0
Ki
3.2e+3±n/a nM
Citation
 Tondi, D; Powers, RA; Caselli, E; Negri, MC; Blázquez, J; Costi, MP; Shoichet, BK Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase. Chem Biol 8:593-611 (2001) [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:
BDBM39849
Synonyms:
Amide and sulfonamide derivatives, 33
Type:
Small organic molecule
Emp. Form.:
C18H18B2N2O8S2
Mol. Mass.:
476.096
SMILES:
OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
Structure:
Search PDB for entries with ligand similarity: