Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM93489
Substrate
n/a
IC50
16168±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of the interaction of nucleotide-binding oligomerization domain containing 2 (NOD2) and receptor-interacting serine-threonine kinase 2 (RIPK2) PubChem Bioassay (2012)[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:
BDBM93489
Synonyms:
1-[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]-N-[(2-methylphenyl)methyl]-4-piperidinecarboxamide | 1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide | 1-[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-methylbenzyl)isonipecotamide | MLS001028771 | SMR000629872 | cid_20920345
Type:
Small organic molecule
Emp. Form.:
C28H32N6O
Mol. Mass.:
468.5933
SMILES:
Cc1n(nc2c(nnc(C)c12)N1CCC(CC1)C(=O)NCc1ccccc1C)-c1ccc(C)cc1
Structure:
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