Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM51987
Substrate
n/a
Meas. Tech.
FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts.
IC50
2232±n/a nM
Citation
 PubChem, PC FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts. 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:
BDBM51987
Synonyms:
MLS000624309 | N-[5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide | N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide | N-[5-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide | N-[5-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide | SMR000323623 | cid_7190957
Type:
Small organic molecule
Emp. Form.:
C16H20N4O3S2
Mol. Mass.:
380.485
SMILES:
O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
Structure:
Search PDB for entries with ligand similarity: