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Target
Beta-lactamase
Ligand
BDBM51968
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:
BDBM51968
Synonyms:
4-(3-chlorophenyl)-3-(2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}ethyl)-5-sulfanyl-4H-1,2,4-triazole | 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-1H-1,2,4-triazole-5-thione | 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione | 4-(3-chlorophenyl)-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione | MLS000537114 | SMR000160103 | cid_998799
Type:
Small organic molecule
Emp. Form.:
C15H15ClN6O2S
Mol. Mass.:
378.837
SMILES:
Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: