Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM93486
Substrate
n/a
IC50
12265±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:
BDBM93486
Synonyms:
5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]-N-(phenylmethyl)pyrimidine-4-carboxamide | 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(phenylmethyl)-4-pyrimidinecarboxamide | MLS001116188 | N-benzyl-5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide | N-benzyl-5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide | SMR000625793 | cid_16014472
Type:
Small organic molecule
Emp. Form.:
C20H18ClN3O3S
Mol. Mass.:
415.893
SMILES:
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: