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Target
Beta-lactamase
Ligand
BDBM52031
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:
BDBM52031
Synonyms:
(2Z)-2-(phenylmethylidene)-6-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one | (2Z)-2-benzal-6-(4-piperidinopiperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one | (2Z)-2-benzylidene-6-(4-piperidin-1-ylpiperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one | (2Z)-6-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-2-(phenylmethylene)-4H-1,4-benzothiazin-3-one | MLS001030682 | SMR000635251 | cid_24793641
Type:
Small organic molecule
Emp. Form.:
C26H29N3O2S
Mol. Mass.:
447.592
SMILES:
O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Structure:
Search PDB for entries with ligand similarity: