Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM71444
Substrate
n/a
IC50
21147±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:
BDBM71444
Synonyms:
5-chloro-2-(3-methylbenzyl)sulfonyl-N-piperonyl-pyrimidine-4-carboxamide | MLS001116159 | N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide | N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide | N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide | SMR000625800 | cid_16447161
Type:
Small organic molecule
Emp. Form.:
C21H18ClN3O5S
Mol. Mass.:
459.903
SMILES:
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccc3OCOc3c2)c1
Structure:
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