Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM178180
Substrate
n/a
Meas. Tech.
Cell Free Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
6450.2±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:
BDBM178180
Synonyms:
US9120808, Example 59
Type:
Small organic molecule
Emp. Form.:
C18H18INO5
Mol. Mass.:
455.2437
SMILES:
ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4,2.1|
Structure:
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