Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM31372
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
2639±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:
BDBM31372
Synonyms:
3-(2-furanyl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole | 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole | 5-(2-furyl)-3-(4-nitrophenyl)-1-phenyl-2-pyrazoline | 5-(2-furyl)-3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole | MLS000861141 | SMR000459925 | cid_564008
Type:
Small organic molecule
Emp. Form.:
C19H15N3O3
Mol. Mass.:
333.3407
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|
Structure:
Search PDB for entries with ligand similarity: