Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM41383
Substrate
n/a
IC50
10482±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:
BDBM41383
Synonyms:
MLS000084061 | N-[(1S)-1-[5-(2-chloro-6-fluoro-benzyl)sulfonyl-1,3,4-oxadiazol-2-yl]-2-methyl-propyl]carbamic acid tert-butyl ester | N-[(1S)-1-[5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamic acid tert-butyl ester | SMR000044502 | cid_663743 | tert-butyl N-[(1S)-1-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methyl-propyl]carbamate | tert-butyl N-[(1S)-1-[5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C18H23ClFN3O5S
Mol. Mass.:
447.909
SMILES:
CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl
Structure:
Search PDB for entries with ligand similarity: