Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM52019
Substrate
n/a
Meas. Tech.
FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase.
IC50
59640±n/a nM
Citation
 PubChem, PC FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. PubChem Bioassay (2009)[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:
BDBM52019
Synonyms:
3-(2-furanyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione | 3-(2-furyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione | 3-(furan-2-yl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione | MLS001214684 | SMR000543608 | cid_973894
Type:
Small organic molecule
Emp. Form.:
C13H11N3O2S
Mol. Mass.:
273.31
SMILES:
COc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.27,-.3,;11.81,-.3,;12.28,1.17,;11.04,2.07,)|
Structure:
Search PDB for entries with ligand similarity: