Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM52052
Substrate
n/a
Meas. Tech.
Epi-absorbance-based dose response biochemical high throughput screening assay for selective inhibitors of VIM-2 metallo-beta-lactamase
IC50
6478±n/a nM
Citation
 PubChem, PC Epi-absorbance-based dose response biochemical high throughput screening assay for selective inhibitors of VIM-2 metallo-beta-lactamase PubChem Bioassay (2009)[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:
BDBM52052
Synonyms:
MLS001237957 | N-[5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide | N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide | N-[5-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide | N-[5-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methoxy-benzamide | SMR000806360 | cid_8481811
Type:
Small organic molecule
Emp. Form.:
C17H16N4O4S2
Mol. Mass.:
404.463
SMILES:
COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
Structure:
Search PDB for entries with ligand similarity: