Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50140672
Substrate
n/a
Meas. Tech.
ChEBML_197644
IC50
409000±n/a nM
Citation
Buynak, JD; Chen, H; Vogeti, L; Gadhachanda, VR; Buchanan, CA; Palzkill, T; Shaw, RW; Spencer, J; Walsh, TR Penicillin-derived inhibitors that simultaneously target both metallo- and serine-beta-lactamases. Bioorg Med Chem Lett 14:1299-304 (2004) [PubMed] Article
More Info.:
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:
BDBM50140672
Synonyms:
(2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | Beta-lactam compound, 2 | CHEMBL25613
Type:
Small organic molecule
Emp. Form.:
C9H13NO4S
Mol. Mass.:
231.269
SMILES:
CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O