Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM63626
Substrate
n/a
IC50
18219±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:
BDBM63626
Synonyms:
3-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol | 3-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol | 3-[[7-[(1-methyl-2-imidazolyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol | 3-[[7-[(1-methylimidazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol | MLS000674026 | SMR000311304 | cid_4326878
Type:
Small organic molecule
Emp. Form.:
C13H14N6O4S
Mol. Mass.:
350.353
SMILES:
Cn1ccnc1Sc1cc(NCCCO)c([N+]([O-])=O)c2nonc12
Structure:
Search PDB for entries with ligand similarity: