Reaction Details Report a problem with these data
Target
DNA-(apurinic or apyrimidinic site) endonuclease
Ligand
BDBM50303973
Substrate
n/a
Meas. Tech.
ChEMBL_595225 (CHEMBL1043577)
IC50
1000±n/a nM
Citation
 Nyland, RL; Luo, M; Kelley, MR; Borch, RF Design and synthesis of novel quinone inhibitors targeted to the redox function of apurinic/apyrimidinic endonuclease 1/redox enhancing factor-1 (Ape1/ref-1). J Med Chem 53:1200-10 (2010) [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:
BDBM50303973
Synonyms:
(E)-N-(2-Hydroxyethyl)-3-(3-chloro-1,4-dioxonaphthoquinon-2-yl)-2-methylpropenamide | CHEMBL570294
Type:
Small organic molecule
Emp. Form.:
C16H14ClNO4
Mol. Mass.:
319.74
SMILES:
C\C(=C/C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)NCCO |c:3|
Structure:
Search PDB for entries with ligand similarity: