Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66127
Substrate
n/a
Meas. Tech.
Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase
IC50
>59640±n/a nM
Citation
 PubChem, PC Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase PubChem Bioassay (2010)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
Beta lactamase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31513.38
Organism:
Pseudomonas aeruginosa
Description:
gi_114881106
Residue:
286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
  
Inhibitor
Name:
BDBM66127
Synonyms:
(5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxy-benzylidene)-2-thioxo-thiazolidin-4-one | (5E)-3-benzyl-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one | (5E)-3-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | (5E)-5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | (5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone | MLS001194445 | SMR000555227 | cid_1214175
Type:
Small organic molecule
Emp. Form.:
C19H17NO4S2
Mol. Mass.:
387.473
SMILES:
COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
Structure:
Search PDB for entries with ligand similarity: