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Target
Beta-lactamase
Ligand
BDBM51967
Substrate
n/a
Meas. Tech.
Epi-absorbance-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 Epi-absorbance-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:
BDBM51967
Synonyms:
4-(2,3-dimethylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione | 4-(2,3-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide | MLS000325102 | SMR000162979 | cid_829349
Type:
Small organic molecule
Emp. Form.:
C11H13N3S
Mol. Mass.:
219.306
SMILES:
Cc1n[nH]c(=S)n1-c1cccc(C)c1C |(3.08,1.17,;4.54,1.64,;5.02,3.11,;6.56,3.11,;7.04,1.64,;8.5,1.17,;5.79,.74,;5.79,-.8,;7.12,-1.57,;7.12,-3.11,;5.79,-3.88,;4.46,-3.11,;3.12,-3.88,;4.46,-1.57,;3.12,-.8,)|
Structure:
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