Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66134
Substrate
n/a
Meas. Tech.
Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase
IC50
6945±n/a nM
Citation
 PubChem, PC Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase PubChem Bioassay (2010)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29494.42
Organism:
Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67
Description:
gi_60115532
Residue:
269
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTDGESGNYG
  
Inhibitor
Name:
BDBM66134
Synonyms:
2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[[4-(dimethylamino)benzylidene]amino]amino]ethanol | 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-[[4-(dimethylamino)phenyl]methylideneamino]amino]ethanol | 2-[[[4-(dimethylamino)phenyl]methylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol | 4-(dimethylamino)benzaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(2-hydroxyethyl)hydrazone | MLS001196408 | SMR000556211 | cid_4002873
Type:
Small organic molecule
Emp. Form.:
C18H20N4O3S
Mol. Mass.:
372.441
SMILES:
CN(C)c1ccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)cc1 |t:13|
Structure:
Search PDB for entries with ligand similarity: