Target
Beta-lactamase
Ligand
BDBM50115620
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7±0
Ki
6.8e+3±n/a nM
Citation
 Caselli, EPowers, RABlasczcak, LCWu, CYPrati, FShoichet, 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:
BDBM50115620
Synonyms:
3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole-4-carboxylic acid dihydroxyboranylmethyl-amide | Acylglycineboronic acid, 9 | CHEMBL324688 | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
Type:
Small organic molecule
Emp. Form.:
C12H12BClN2O4
Mol. Mass.:
294.499
SMILES:
Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: