Reaction Details Report a problem with these data
Target
Phosphopantetheine adenylyltransferase
Ligand
BDBM82161
Substrate
n/a
Meas. Tech.
High-Throughput Screening Assay (Forward Direction Assay)
IC50
5.4e+4±n/a nM
Citation
 Miller, JR; Thanabal, V; Melnick, MM; Lall, M; Donovan, C; Sarver, RW; Lee, DY; Ohren, J; Emerson, D The use of biochemical and biophysical tools for triage of high-throughput screening hits - A case study with Escherichia coli phosphopantetheine adenylyltransferase. Chem Biol Drug Des 75:444-54 (2010) [PubMed]  Article 
Target
Name:
Phosphopantetheine adenylyltransferase
Synonyms:
COAD_ECOLI | Dephospho-CoA pyrophosphorylase | Pantetheine-phosphate adenylyltransferase | Phosphopantetheine adenylyltransferase (PPAT) | coaD | kdtB | yicA
Type:
Protein
Mol. Mass.:
17838.96
Organism:
Escherichia coli
Description:
P0A6I6
Residue:
159
Sequence:
MQKRAIYPGTFDPITNGHIDIVTRATQMFDHVILAIAASPSKKPMFTLEERVALAQQATAHLGNVEVVGFSDLMANFARNQHATVLIRGLRAVADFEYEMQLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVARHQGDVTHFLPENVHQALMAKLA
  
Inhibitor
Name:
BDBM82161
Synonyms:
6-substituted pyrazoloquinolone, 20
Type:
Small organic molecule
Emp. Form.:
C12H6F3N3O3
Mol. Mass.:
297.1895
SMILES:
OC(=O)c1cc2nc3cc(ccc3c(=O)n2[nH]1)C(F)(F)F
Structure:
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