Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50274047
Substrate
n/a
Meas. Tech.
ChEMBL_1713682 (CHEMBL4123731)
Ki
0.050±n/a nM
Citation
 Zhou, J; Stapleton, P; Haider, S; Healy, J Boronic acid inhibitors of the class A?-lactamase KPC-2. Bioorg Med Chem 26:2921-2927 (2018) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ECOLI | Beta-lactamase | Beta-lactamase (AmpC) | Beta-lactamase AmpC | Cephalosporinase | Escherichia coli K-12 | ampA | ampC
Type:
Protien
Mol. Mass.:
41561.62
Organism:
Escherichia coli
Description:
P00811
Residue:
377
Sequence:
MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ
  
Inhibitor
Name:
BDBM50274047
Synonyms:
CHEMBL3613796
Type:
Small organic molecule
Emp. Form.:
C9H9BF3N5O4S
Mol. Mass.:
351.07
SMILES:
OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1
Structure:
Search PDB for entries with ligand similarity: