Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66135
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 IMP-1metallo-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 IMP-1metallo-beta-lactamase PubChem Bioassay (2010)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
Beta-lactamase | metallo-beta-lactamase IMP-1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
27125.88
Organism:
Pseudomonas aeruginosa
Description:
gi_27368096
Residue:
246
Sequence:
MSKLSVFFIFLFCSIATAAESLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKKPSKPSN
  
Inhibitor
Name:
BDBM66135
Synonyms:
5-methyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1H-indole;iodide | 5-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole;iodide | 5-methyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-1H-indole;iodide | MLS001215909 | SMR000544817 | cid_24761146
Type:
Small organic molecule
Emp. Form.:
C17H17N2
Mol. Mass.:
249.3297
SMILES:
Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
Structure:
Search PDB for entries with ligand similarity: