Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66111
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
9264±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:
BDBM66111
Synonyms:
(E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)but-3-enoic acid | (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-3-butenoic acid | (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)but-3-enoic acid | (E)-3-(1,3-benzothiazol-2-yl)-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)but-3-enoic acid | MLS000565883 | SMR000153032 | cid_5972079
Type:
Small organic molecule
Emp. Form.:
C21H16ClN3O2S
Mol. Mass.:
409.889
SMILES:
Cc1nn(c(Cl)c1\C=C(/CC(O)=O)c1nc2ccccc2s1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: