Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM178165
Substrate
n/a
Meas. Tech.
Cell Free Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
126±n/a nM
Comments
extracted
Citation
 Bulusu, AR Substituted clavulanic acid US Patent  US9120808 Publication Date 9/1/2015 
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:
BDBM178165
Synonyms:
US9120808, Mixture of Example 43 and Example 44
Type:
Small organic molecule
Emp. Form.:
C12H12INO6
Mol. Mass.:
393.1313
SMILES:
COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O |r|
Structure:
Search PDB for entries with ligand similarity: