Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50339849
Substrate
n/a
Meas. Tech.
ChEMBL_740684 (CHEMBL1763746)
Ki
28470±n/a nM
Citation
 Xia, Y; Cao, K; Zhou, Y; Alley, MR; Rock, F; Mohan, M; Meewan, M; Baker, SJ; Lux, S; Ding, CZ; Jia, G; Kully, M; Plattner, JJ Synthesis and SAR of novel benzoxaboroles as a new class of β-lactamase inhibitors. Bioorg Med Chem Lett 21:2533-6 (2011) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ENTCL | ampC
Type:
PROTEIN
Mol. Mass.:
41306.67
Organism:
Enterobacter cloacae
Description:
ChEMBL_40258
Residue:
381
Sequence:
MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHYYTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQWQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGALAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQAYGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEANTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLANTSYPNPARVEAAYHILEALQ
  
Inhibitor
Name:
BDBM50339849
Synonyms:
(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)(phenyl)methanone | CHEMBL1761094
Type:
Small organic molecule
Emp. Form.:
C14H11BO3
Mol. Mass.:
238.046
SMILES:
OB1OCc2ccc(cc12)C(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: