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Target
Beta-lactamase
Ligand
BDBM83251
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA)
IC50
3598±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA) PubChem Bioassay (2011)[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:
BDBM83251
Synonyms:
6-[2-(4-aminophenyl)ethynyl]-2,3-dimethoxy-9-xanthenone | 6-[2-(4-aminophenyl)ethynyl]-2,3-dimethoxy-xanthen-9-one | 6-[2-(4-aminophenyl)ethynyl]-2,3-dimethoxy-xanthone | 6-[2-(4-aminophenyl)ethynyl]-2,3-dimethoxyxanthen-9-one | MLS001144048 | SMR000526304 | cid_24747933
Type:
Small organic molecule
Emp. Form.:
C23H17NO4
Mol. Mass.:
371.3854
SMILES:
COc1cc2oc3cc(ccc3c(=O)c2cc1OC)C#Cc1ccc(N)cc1
Structure:
Search PDB for entries with ligand similarity: