Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM70525
Substrate
n/a
IC50
>49761±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:
BDBM70525
Synonyms:
2-mesyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidine | 4-(4-methoxyphenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine | MLS000519882 | SMR000130297 | US11725000, Compound 53 | cid_4054690
Type:
Small organic molecule
Emp. Form.:
C13H11F3N2O3S
Mol. Mass.:
332.298
SMILES:
COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: