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Target
Beta-lactamase
Ligand
BDBM83212
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
4044±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:
BDBM83212
Synonyms:
1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (5-nitro-2-pyridinyl)hydrazone | MLS000533502 | N-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-5-nitro-2-pyridinamine | N-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-5-nitro-pyridin-2-amine | N-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-nitropyridin-2-amine | SMR000140940 | [[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-(5-nitro-2-pyridyl)amine | cid_2880298
Type:
Small organic molecule
Emp. Form.:
C20H21N5O2
Mol. Mass.:
363.413
SMILES:
Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1c(C)cccc1C |w:5.4,(3.08,-3.83,;4.54,-3.36,;5.02,-1.89,;6.56,-1.89,;7.47,-.65,;6.84,.76,;7.74,2.01,;7.12,3.41,;8.02,4.66,;7.4,6.07,;5.87,6.23,;4.96,4.98,;5.59,3.58,;5.47,7.72,;6.56,8.8,;3.98,8.11,;7.04,-3.36,;8.5,-3.83,;5.79,-4.26,;5.79,-5.8,;4.46,-6.57,;3.12,-5.8,;4.46,-8.11,;5.79,-8.88,;7.12,-8.11,;7.12,-6.57,;8.46,-5.8,)|
Structure:
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