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Target
Beta-lactamase
Ligand
BDBM36448
Substrate
n/a
Meas. Tech.
Beta-lactamase AmpC Inhibition Assay
pH
7±0
Ki
2800000±0.0 nM
Citation
 Chen, Y; Shoichet, BK Molecular docking and ligand specificity in fragment-based inhibitor discovery. Nat Chem Biol 5:358-64 (2009) [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:
BDBM36448
Synonyms:
CID8067740 | ZINC06742509, 12
Type:
Small organic molecule
Emp. Form.:
C14H9FN5O
Mol. Mass.:
282.2531
SMILES:
Fc1cccc(c1)C(=O)Nc1cccc(c1)-c1nn[n-]n1
Structure:
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