Reaction Details Report a problem with these data
Target
Phosphopantetheine adenylyltransferase
Ligand
BDBM82164
Substrate
n/a
Meas. Tech.
High-Throughput Screening Assay (Forward Direction Assay)
IC50
2.12e+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_ENTFA | Dephospho-CoA pyrophosphorylase | Pantetheine-phosphate adenylyltransferase | Phosphopantetheine adenylyltransferase (PPAT) | coaD
Type:
Protein
Mol. Mass.:
18674.26
Organism:
Enterococcus faecalis (Streptococcus faecalis)
Description:
Q831P9
Residue:
163
Sequence:
MRKIALFPGSFDPMTNGHLNLIERSAKLFDEVIIGVFINTSKQTLFTPEEKKYLIEEATKEMPNVRVIMQETQLTVESAKSLGANFLIRGIRNVKDYEYEKDIAKMNQHLAPEIETVFLLAEEPYAHVSSSLLKEVLRFGGDVSDYLPPNIYHALKQKKNDWS
  
Inhibitor
Name:
BDBM82164
Synonyms:
6-substituted pyrazoloquinolone, 23
Type:
Small organic molecule
Emp. Form.:
C11H6ClN3O3
Mol. Mass.:
263.637
SMILES:
OC(=O)c1cc2nc3cc(Cl)ccc3c(=O)n2[nH]1
Structure:
Search PDB for entries with ligand similarity: