Reaction Details Report a problem with these data
Target
Phosphopantetheine adenylyltransferase
Ligand
BDBM82165
Substrate
n/a
Meas. Tech.
High-Throughput Screening Assay (Forward Direction Assay)
IC50
1.06e+5±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:
BDBM82165
Synonyms:
3-substituted pyrazoloquinolone, 24
Type:
Small organic molecule
Emp. Form.:
C12H8ClN3O3
Mol. Mass.:
277.663
SMILES:
Cc1c([nH]n2c1nc1cc(Cl)ccc1c2=O)C(O)=O
Structure:
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