Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM36440
Substrate
n/a
Meas. Tech.
Beta-lactamase AmpC Inhibition Assay
pH
7±0
Ki
2200000±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:
BDBM36440
Synonyms:
CID25181259 | ZINC13785333, 4
Type:
Small organic molecule
Emp. Form.:
C12H14NO4
Mol. Mass.:
236.2444
SMILES:
C[C@H](N1C(=O)C2C3CCC(C3)C2C1=O)C([O-])=O
Structure:
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