Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50115621
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7±0
Ki
6.5e+3±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:
BDBM50115621
Synonyms:
(2-(thiophen-2-yl)acetamido)methylboronic acid | Acylglycineboronic acid, 11 | CHEMBL320049 | N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID | N-dihydroxyBoranylmethyl-2-thiophen-2-yl-acetamide
Type:
Small organic molecule
Emp. Form.:
C7H10BNO3S
Mol. Mass.:
199.035
SMILES:
OB(O)CNC(=O)Cc1cccs1
Structure:
Search PDB for entries with ligand similarity: