Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM71471
Substrate
n/a
IC50
20995±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:
BDBM71471
Synonyms:
2-benzylsulfonyl-5-chloro-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide | 2-benzylsulfonyl-5-chloro-N-p-anisyl-pyrimidine-4-carboxamide | 5-chloranyl-N-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide | 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide | MLS001116186 | SMR000625773 | cid_16014208
Type:
Small organic molecule
Emp. Form.:
C20H18ClN3O4S
Mol. Mass.:
431.893
SMILES:
COc1ccc(CNC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Structure:
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