Reaction Details Report a problem with these data
Target
DNA-(apurinic or apyrimidinic site) endonuclease
Ligand
BDBM26579
Substrate
DNA Substrate
Meas. Tech.
APE1 Inhibition Assay
pH
7.5±n/a
Temperature
303.15±n/a K
IC50
15000±6000 nM
Citation
 Zawahir, Z; Dayam, R; Deng, J; Pereira, C; Neamati, N Pharmacophore guided discovery of small-molecule human apurinic/apyrimidinic endonuclease 1 inhibitors. J Med Chem 52:20-32 (2009) [PubMed]  Article 
Target
Name:
DNA-(apurinic or apyrimidinic site) endonuclease
Synonyms:
APE | APE1 | APEX | APEX1 | APEX1_HUMAN | APX | Apurinic-apyrimidinic endonuclease 1 (APE-1) | Apurinic/apyrimidinic endonuclease 1 (APE1) | DNA-(apurinic or apyrimidinic site) lyase | HAP1 | REF1
Type:
Protein
Mol. Mass.:
35560.12
Organism:
Homo sapiens (Human)
Description:
P27695
Residue:
318
Sequence:
MPKRGKKGAVAEDGDELRTEPEAKKSKTAAKKNDKEAAGEGPALYEDPPDQKTSPSGKPATLKICSWNVDGLRAWIKKKGLDWVKEEAPDILCLQETKCSENKLPAELQELPGLSHQYWSAPSDKEGYSGVGLLSRQCPLKVSYGIGDEEHDQEGRVIVAEFDSFVLVTAYVPNAGRGLVRLEYRQRWDEAFRKFLKGLASRKPLVLCGDLNVAHEEIDLRNPKGNKKNAGFTPQERQGFGELLQAVPLADSFRHLYPNTPYAYTFWTYMMNARSKNVGWRLDYFLLSHSLLPALCDSKIRSKALGSDHCPITLYLAL
  
Inhibitor
Name:
BDBM26579
Synonyms:
3-({[4-(carboxymethyl)phenyl]methyl}sulfanyl)-8-methyl-5H-[1,2,4]triazino[5,6-b]indole-5-carboxylic acid | H1-A1NI2, 4
Type:
Small organic molecule
Emp. Form.:
C20H16N4O4S
Mol. Mass.:
408.43
SMILES:
Cc1ccc2n(C(O)=O)c3nc(SCc4ccc(CC(O)=O)cc4)nnc3c2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
DNA Substrate
Synonyms:
Annealed double-stranded oligonucleotide with an abasic site
Type:
Radiolabeled substrate
Mol. Mass.:
2306.64
Organism:
n/a
Description:
The top strand is 5-ATTTCACCGGTACG(F)TCTAGAATCC-3 containing the tetrahydrofuran synthetic abasic residue (F). It is radiolabeled with gamma-32P.
Residue:
26
Sequence:
ATTTCACCGGTACGFTCTAGAATCCG