Target
Bifunctional polynucleotide phosphatase/kinase
Ligand
BDBM553919
Substrate
n/a
Meas. Tech.
Steady-State Fluorescence Assay
IC50
22000±n/a nM
Citation
 Hall, DWeinfeld, MBernard, SVerdelet, TMorgan, TLamontagne, VShire, ZLavasanifar, A Imidopiperidine compounds as inhibitors of human polynucleotide kinase phosphatase US Patent  US11325905 Publication Date 5/10/2022 
Target
Name:
Bifunctional polynucleotide phosphatase/kinase
Synonyms:
DNA 5'-kinase/3'-phosphatase | PNKP | PNKP_HUMAN | Polynucleotide kinase-3'-phosphatase
Type:
Protein
Mol. Mass.:
57085.26
Organism:
Human
Description:
Q96T60
Residue:
521
Sequence:
MGEVEAPGRLWLESPPGGAPPIFLPSDGQALVLGRGPLTQVTDRKCSRTQVELVADPETRTVAVKQLGVNPSTTGTQELKPGLEGSLGVGDTLYLVNGLHPLTLRWEETRTPESQPDTPPGTPLVSQDEKRDAELPKKRMRKSNPGWENLEKLLVFTAAGVKPQGKVAGFDLDGTLITTRSGKVFPTGPSDWRILYPEIPRKLRELEAEGYKLVIFTNQMSIGRGKLPAEEFKAKVEAVVEKLGVPFQVLVATHAGLYRKPVTGMWDHLQEQANDGTPISIGDSIFVGDAAGRPANWAPGRKKKDFSCADRLFALNLGLPFATPEEFFLKWPAAGFELPAFDPRTVSRSGPLCLPESRALLSASPEVVVAVGFPGAGKSTFLKKHLVSAGYVHVNRDTLGSWQRCVTTCETALKQGKRVAIDNTNPDAASRARYVQCARAAGVPCRCFLFTATLEQARHNNRFREMTDSSHIPVSDMVMYGYRKQFEAPTLAEGFSAILEIPFRLWVEPRLGRLYCQFSEG
  
Inhibitor
Name:
BDBM553919
Synonyms:
US11325905, Compound A44B4C60
Type:
Small organic molecule
Emp. Form.:
C26H22BrN5O5
Mol. Mass.:
564.387
SMILES:
OC(C1C=CC2[C@H](N1Nc1ccc(cc1)N(=O)=O)C(=O)N(Cc1ccccn1)C2=O)c1ccc(Br)cc1 |r,c:3|
Structure:
Search PDB for entries with ligand similarity: