Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM67449
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA)
IC50
3479±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA) PubChem Bioassay (2011)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
Beta lactamase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31513.38
Organism:
Pseudomonas aeruginosa
Description:
gi_114881106
Residue:
286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
  
Inhibitor
Name:
BDBM67449
Synonyms:
2-(2,4-diketo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester | 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester | MLS001141678 | SMR000705589 | [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2-[2,4-bis(oxidanylidene)-1,3-diazaspiro[4.5]decan-3-yl]ethanoate | [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate | cid_16281348
Type:
Small organic molecule
Emp. Form.:
C20H17F3N2O6
Mol. Mass.:
438.354
SMILES:
FC(F)(F)c1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc12
Structure:
Search PDB for entries with ligand similarity: