Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM93528
Substrate
n/a
IC50
18042±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:
BDBM93528
Synonyms:
(1S,4R,6S,6aR,9R,11bS)-methyl 1-acetoxy-6-hydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate | MLS003373234 | SMR002047991 | cid_51361441
Type:
Small organic molecule
Emp. Form.:
C23H32O6
Mol. Mass.:
404.4966
SMILES:
[H][C@]12C[C@@]3([C@@H](O)CC4[C@@](C)(CC[C@H](OC(C)=O)[C@@]4(C)C3CC1)C(=O)OC)C(=O)C2=C
Structure:
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