Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM66104
Substrate
n/a
Meas. Tech.
Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of IMP-1metallo-beta-lactamase
IC50
>59640±n/a nM
Citation
 PubChem, PC Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of IMP-1metallo-beta-lactamase PubChem Bioassay (2010)[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:
BDBM66104
Synonyms:
4-ethyl-5-hydroxy-7-methyl-6-(1-pyrrolidinylmethyl)-1-benzopyran-2-one | 4-ethyl-5-hydroxy-7-methyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one | 4-ethyl-5-hydroxy-7-methyl-6-(pyrrolidinomethyl)coumarin | 4-ethyl-7-methyl-5-oxidanyl-6-(pyrrolidin-1-ylmethyl)chromen-2-one | MLS000081527 | SMR000043781 | cid_5389615
Type:
Small organic molecule
Emp. Form.:
C17H21NO3
Mol. Mass.:
287.3535
SMILES:
CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
Structure:
Search PDB for entries with ligand similarity: