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Target
Beta-lactamase
Ligand
BDBM51990
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:
BDBM51990
Synonyms:
3-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-phenyl-4(1H)-pyridazinone | 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenyl-4-pyridazinone | 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenyl-pyridazin-4-one | 3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-phenylpyridazin-4-one | 3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-1-phenyl-pyridazin-4-one | MLS000763629 | SMR000337209 | cid_1481298
Type:
Small organic molecule
Emp. Form.:
C14H13N5OS
Mol. Mass.:
299.351
SMILES:
CCn1c(n[nH]c1=S)-c1nn(ccc1=O)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: