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Target
Beta-lactamase
Ligand
BDBM83222
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
3730±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:
BDBM83222
Synonyms:
1-(1-Amino-5-p-tolyl-6,7,8,9-tetrahydro-thieno[2,3-c]isoquinolin-2-yl)-ethanone | 1-[1-amino-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]ethanone | 1-[1-amino-5-(p-tolyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-2-yl]ethanone | 1-[1-azanyl-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]ethanone | MLS000588532 | SMR000219943 | cid_930578
Type:
Small organic molecule
Emp. Form.:
C20H20N2OS
Mol. Mass.:
336.451
SMILES:
CC(=O)c1sc2nc(-c3ccc(C)cc3)c3CCCCc3c2c1N
Structure:
Search PDB for entries with ligand similarity: