Reaction Details Report a problem with these data
Target
Bifunctional polynucleotide phosphatase/kinase
Ligand
BDBM553932
Substrate
n/a
Meas. Tech.
Steady-State Fluorescence Assay
IC50
16000±n/a nM
Citation
 Hall, D; Weinfeld, M; Bernard, S; Verdelet, T; Morgan, T; Lamontagne, V; Shire, Z; Lavasanifar, 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:
BDBM553932
Synonyms:
US11325905, Compound A83B4C69
Type:
Small organic molecule
Emp. Form.:
C31H27N5O6
Mol. Mass.:
565.576
SMILES:
COc1ccccc1[C@@H](O)[C@H]1C=C[C@@H]2[C@H](N1Nc1ccc(cc1)N(=O)=O)C(=O)N(Cc1cccc3cccnc13)C2=O |r,c:12|
Structure:
Search PDB for entries with ligand similarity: