Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM52004
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:
BDBM52004
Synonyms:
2-(4-Bicyclo[2.2.1]hept-2-yl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-2H-phthalazin-1-one | 2-[[4-(2-norbornyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one | 2-[[4-(3-bicyclo[2.2.1]heptanyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone | 2-[[4-(3-bicyclo[2.2.1]heptanyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one | MLS000763291 | SMR000439856 | cid_4860066
Type:
Small organic molecule
Emp. Form.:
C18H19N5OS
Mol. Mass.:
353.441
SMILES:
[H]C12CCC([H])(C1)C(C2)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S |TLB:9:7:6:3.2|
Structure:
Search PDB for entries with ligand similarity: