Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM39816
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7±0
Ki
3.9e+2±n/a nM
Citation
 Caselli, E; Powers, RA; Blasczcak, LC; Wu, CY; Prati, F; Shoichet, BK Energetic, structural, and antimicrobial analyses of beta-lactam side chain recognition by beta-lactamases. Chem Biol 8:17-31 (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:
BDBM39816
Synonyms:
Acylglycineboronic acid, 15
Type:
Small organic molecule
Emp. Form.:
C10H13BN3O6S2
Mol. Mass.:
346.168
SMILES:
CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O
Structure:
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