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Target
Beta-lactamase
Ligand
BDBM83247
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
4057±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:
BDBM83247
Synonyms:
Acetic acid 4-(6-nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-phenyl ester | MLS001207497 | SMR000515147 | [4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl] acetate | [4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]phenyl] ethanoate | acetic acid [4-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)phenyl] ester | acetic acid [4-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)phenyl] ester | cid_1098906
Type:
Small organic molecule
Emp. Form.:
C20H12N2O6
Mol. Mass.:
376.3191
SMILES:
CC(=O)Oc1ccc(cc1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: