Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM60990
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
16893±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:
BDBM60990
Synonyms:
MLS001336050 | SMR000875330 | Thime-rosal | Thimerosal | cid_16684434 | jm5b01461, Compound 169 | sodium;(2-carboxylatophenyl)sulfanyl-ethyl-mercury | sodium;(2-carboxylatophenyl)sulfanyl-ethylmercury | sodium;[(2-carboxylatophenyl)thio]-ethyl-mercury | sodium;[(2-carboxylatophenyl)thio]-ethylmercury
Type:
Small organic molecule
Emp. Form.:
C9H9HgO2S
Mol. Mass.:
381.82
SMILES:
CC[Hg]Sc1ccccc1C([O-])=O
Structure:
Search PDB for entries with ligand similarity: