Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM83258
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
3685±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:
BDBM83258
Synonyms:
2-(4-butan-2-ylsulfanylphenyl)-N-cyclohexyl-imidazo[1,2-a]pyrazin-3-amine;2,2,2-tris(fluoranyl)ethanoic acid | 2-(4-butan-2-ylsulfanylphenyl)-N-cyclohexylimidazo[1,2-a]pyrazin-3-amine;2,2,2-trifluoroacetic acid | 2-[4-(butan-2-ylthio)phenyl]-N-cyclohexyl-3-imidazo[1,2-a]pyrazinamine;2,2,2-trifluoroacetic acid | MLS001065942 | SMR000814631 | cid_24892713 | cyclohexyl-[2-[4-(sec-butylthio)phenyl]imidazo[1,2-a]pyrazin-3-yl]amine;2,2,2-trifluoroacetic acid
Type:
Small organic molecule
Emp. Form.:
C22H28N4S
Mol. Mass.:
380.55
SMILES:
CCC(C)Sc1ccc(cc1)-c1nc2cnccn2c1NC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: