Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM51996
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:
BDBM51996
Synonyms:
4-(2-methylcyclohexyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione | 4-(2-methylcyclohexyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione | 4-(2-methylcyclohexyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione | MLS001004875 | SMR000348440 | cid_3771607
Type:
Small organic molecule
Emp. Form.:
C14H18N4S
Mol. Mass.:
274.385
SMILES:
CC1CCCCC1n1c(n[nH]c1=S)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: