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Target
Beta-lactamase
Ligand
BDBM51902
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
2129±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:
BDBM51902
Synonyms:
MLS001203758 | N-(4-Fluoro-benzylidene)-N'-(6-methoxy-2-methyl-quinolin-4-yl)-hydrazine | N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methyl-4-quinolinamine | N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methyl-quinolin-4-amine | N-[(4-fluorophenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine | SMR000517671 | [(4-fluorobenzylidene)amino]-(6-methoxy-2-methyl-4-quinolyl)amine | [(E)-(4-fluorobenzylidene)amino]-(6-methoxy-2-methyl-4-quinolyl)amine | cid_3141521
Type:
Small organic molecule
Emp. Form.:
C18H16FN3O
Mol. Mass.:
309.3375
SMILES:
COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
Structure:
Search PDB for entries with ligand similarity: