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Target
Beta-lactamase
Ligand
BDBM83221
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
3850±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:
BDBM83221
Synonyms:
3-(1-Methyl-1H-benzoimidazol-2-yl)-1-phenyl-1H-pyrrolo[2,3-b]quinoxalin-2-ylamine | 3-(1-methyl-2-benzimidazolyl)-1-phenyl-2-pyrrolo[3,2-b]quinoxalinamine | 3-(1-methylbenzimidazol-2-yl)-1-phenyl-pyrrolo[3,2-b]quinoxalin-2-amine | 3-(1-methylbenzimidazol-2-yl)-1-phenylpyrrolo[3,2-b]quinoxalin-2-amine | MLS000331061 | SMR000221133 | [3-(1-methylbenzimidazol-2-yl)-1-phenyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine | cid_3373363
Type:
Small organic molecule
Emp. Form.:
C24H18N6
Mol. Mass.:
390.4399
SMILES:
Cn1c(nc2ccccc12)-c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 |(8.02,2.9,;9.56,2.9,;10.46,1.66,;11.91,2.13,;11.92,3.66,;13.07,4.69,;12.75,6.2,;11.28,6.67,;10.14,5.65,;10.46,4.14,;9.98,.2,;10.88,-1.04,;12.42,-1.04,;9.98,-2.28,;10.46,-3.75,;11.96,-4.06,;12.44,-5.53,;11.41,-6.67,;9.91,-6.36,;9.43,-4.89,;8.52,-1.81,;7.19,-2.58,;5.85,-1.81,;4.48,-2.64,;3.08,-1.85,;3.08,-.24,;4.48,.55,;5.85,-.27,;7.19,.5,;8.52,-.27,)|
Structure:
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