Reaction Details Report a problem with these data
Target
Beta-lactamase TEM
Ligand
BDBM50076671
Substrate
n/a
Meas. Tech.
ChEBML_41206
IC50
91±n/a nM
Citation
 Bitha, P; Li, Z; Francisco, GD; Rasmussen, BA; Lin, YI 6-(1-Hydroxyalkyl)penam sulfone derivatives as inhibitors of class A and class C beta-lactamases I. Bioorg Med Chem Lett 9:991-6 (1999) [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:
BDBM50076671
Synonyms:
(4R,6S)-3-{(2R,3R)-2-[((S)-1-Carboxy-2-methyl-propylamino)-methyl]-tetrahydro-furan-3-ylsulfanyl}-6-((R)-1-hydroxy-ethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CHEMBL366664
Type:
Small organic molecule
Emp. Form.:
C20H30N2O7S
Mol. Mass.:
442.526
SMILES:
CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O |t:13|
Structure:
Search PDB for entries with ligand similarity: