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Target
Beta-lactamase
Ligand
BDBM52018
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:
BDBM52018
Synonyms:
(2R)-2-[[2-[(2-keto-3,4,8,8-tetramethyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]-3-(methylthio)propionic acid | (2R)-3-(methylthio)-2-[[1-oxo-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h][1]benzopyran-5-yl)oxy]ethyl]amino]propanoic acid | (2R)-3-methylsulfanyl-2-[2-[(3,4,8,8-tetramethyl-2-oxidanylidene-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]ethanoylamino]propanoic acid | (2R)-3-methylsulfanyl-2-[[2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetyl]amino]propanoic acid | MLS001216030 | SMR000544707 | cid_16406775
Type:
Small organic molecule
Emp. Form.:
C22H27NO7S
Mol. Mass.:
449.517
SMILES:
CSC[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: