Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM54810
Substrate
n/a
IC50
17821±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:
BDBM54810
Synonyms:
(E)-N-[2-(cyclohexylamino)-2-keto-ethyl]-4-(2-hydroxy-4-methoxy-phenyl)-4-keto-N-(2-methoxyethyl)but-2-enamide | (E)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-4-(4-methoxy-2-oxidanyl-phenyl)-4-oxidanylidene-but-2-enamide | (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxo-2-butenamide | (E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-N-(2-methoxyethyl)-4-oxobut-2-enamide | MLS000714572 | SMR000274551 | cid_5770966
Type:
Small organic molecule
Emp. Form.:
C22H30N2O6
Mol. Mass.:
418.4834
SMILES:
COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
Structure:
Search PDB for entries with ligand similarity: