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Target
Beta-lactamase TEM
Ligand
BDBM50247467
Substrate
n/a
Meas. Tech.
ChEMBL_1677806 (CHEMBL4027949)
IC50
5500±n/a nM
Citation
 Cain, R; Brem, J; Zollman, D; McDonough, MA; Johnson, RM; Spencer, J; Makena, A; Abboud, MI; Cahill, S; Lee, SY; McHugh, PJ; Schofield, CJ; Fishwick, CWG In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-?-lactamase Inhibitors. J Med Chem 61:1255-1260 (2018) [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:
BDBM50247467
Synonyms:
CHEMBL4083640
Type:
Small organic molecule
Emp. Form.:
C14H10Cl2O2S
Mol. Mass.:
313.199
SMILES:
OC(=O)c1ccc(cc1CS)-c1cccc(Cl)c1Cl
Structure:
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