Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM51953
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:
BDBM51953
Synonyms:
4-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6-(trifluoromethyl)pyrimidine | 4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine | 4-(4-methoxyphenyl)-2-(4-methylpiperazino)-6-(trifluoromethyl)pyrimidine | MLS000044538 | SMR000022315 | cid_2985091
Type:
Small organic molecule
Emp. Form.:
C17H19F3N4O
Mol. Mass.:
352.3542
SMILES:
COc1ccc(cc1)-c1cc(nc(n1)N1CCN(C)CC1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: