Reaction Details Report a problem with these data
Target
Phosphopantetheine adenylyltransferase
Ligand
BDBM50517256
Substrate
n/a
Meas. Tech.
ChEMBL_1868730 (CHEMBL4369796)
IC50
6200±n/a nM
Citation
 Dalvit, C; Vulpetti, A Ligand-Based Fluorine NMR Screening: Principles and Applications in Drug Discovery Projects. J Med Chem 62:2218-2244 (2019) [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:
BDBM50517256
Synonyms:
CHEMBL4446301
Type:
Small organic molecule
Emp. Form.:
C11H6BrN3O3
Mol. Mass.:
308.088
SMILES:
OC(=O)c1cc2[nH]c3ccc(Br)cc3c(=O)n2n1
Structure:
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