Reaction Details Report a problem with these data
Target
Beta-lactamase TEM
Ligand
BDBM50518879
Substrate
n/a
Meas. Tech.
ChEMBL_1873666 (CHEMBL4374955)
Ki
2030±n/a nM
Citation
 Wang, YL; Liu, S; Yu, ZJ; Lei, Y; Huang, MY; Yan, YH; Ma, Q; Zheng, Y; Deng, H; Sun, Y; Wu, C; Yu, Y; Chen, Q; Wang, Z; Wu, Y; Li, GB Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-?-lactamases. J Med Chem 62:7160-7184 (2019) [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:
BDBM50518879
Synonyms:
CHEMBL4450911
Type:
Small organic molecule
Emp. Form.:
C15H18BNO3S
Mol. Mass.:
303.184
SMILES:
C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc2ccccc2c1 |r|
Structure:
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