Reaction Details Report a problem with these data
Target
Beta-lactamase TEM
Ligand
BDBM50140668
Substrate
n/a
Meas. Tech.
ChEBML_197642
IC50
51700±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 
Target
Name:
Beta-lactamase TEM
Synonyms:
BLAT_ECOLX | Bacterial beta-lactamase TEM | Beta-lactamase (TEM-1) | Beta-lactamase TEM | Beta-lactamase TEM-1 | Beta-lactamase TEM-1b | Beta-lactamase TEM1D | Beta-lactamase TEM1E | Beta-lactamase TEM1F | TEM beta lactamase | TEM extended-spectrum beta-lactamase | TEM-1 beta-lactamase | bla
Type:
Enzyme
Mol. Mass.:
31512.33
Organism:
Escherichia coli
Description:
P62593
Residue:
286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
  
Inhibitor
Name:
BDBM50140668
Synonyms:
(2S,5R,6R)-6-Mercaptomethyl-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | CHEMBL24235
Type:
Small organic molecule
Emp. Form.:
C9H13NO5S2
Mol. Mass.:
279.333
SMILES:
CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: