Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM178145
Substrate
n/a
Meas. Tech.
Cell Free Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
6024.8±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:
BDBM178145
Synonyms:
US9120808, Example 27 | US9120808, Example 28
Type:
Small organic molecule
Emp. Form.:
C24H21NO6
Mol. Mass.:
419.4266
SMILES:
OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2|
Structure:
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