BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-lactamase
LigandBDBM43465
Substrate/Competitorn/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 7828±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]
More Info.:Get all data from this article,  Assay Method
 
Beta-lactamase
Name:Beta-lactamase
Synonyms:Beta lactamase
Type:Enzyme Catalytic Domain
Mol. Mass.:31513.38
Organism:Pseudomonas aeruginosa
Description:gi_114881106
Residue:286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRP
EERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVREL
CSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTM
PAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGS
RGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM43465
n/a
NameBDBM43465
Synonyms:(Z)-2,3-bis(chloranyl)-3-[(4-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide | (Z)-2,3-dichloro-3-(4-chlorobenzyl)sulfinyl-N-(6-methoxy-3-pyridyl)acrylamide | (Z)-2,3-dichloro-3-[(4-chlorophenyl)methylsulfinyl]-N-(6-methoxy-3-pyridinyl)-2-propenamide | (Z)-2,3-dichloro-3-[(4-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide | 2,3-dichloro-3-[(4-chlorobenzyl)sulfinyl]-N-(6-methoxy-3-pyridinyl)acrylamide | MLS000706843 | SMR000334340 | cid_1472220
TypeSmall organic molecule
Emp. Form.C16H13Cl3N2O3S
Mol. Mass.419.71
SMILESCOc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1 |w:11.11|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: