Reaction Details Report a problem with these data
Target
DNA-(apurinic or apyrimidinic site) endonuclease
Ligand
BDBM50438867
Substrate
n/a
Meas. Tech.
ChEMBL_978866 (CHEMBL2423657)
IC50
>200000±n/a nM
Citation
Raoof, A; Depledge, P; Hamilton, NM; Hamilton, NS; Hitchin, JR; Hopkins, GV; Jordan, AM; Maguire, LA; McGonagle, AE; Mould, DP; Rushbrooke, M; Small, HF; Smith, KM; Thomson, GJ; Turlais, F; Waddell, ID; Waszkowycz, B; Watson, AJ; Ogilvie, DJ Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase II. J Med Chem 56:6352-70 (2013) [PubMed] Article
More Info.:
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:
BDBM50438867
Synonyms:
CHEMBL2420504
Type:
Small organic molecule
Emp. Form.:
C17H10ClN3O3
Mol. Mass.:
339.733
SMILES:
Oc1ccccc1-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O |(39.96,-41.85,;38.63,-42.63,;38.63,-44.16,;37.3,-44.93,;35.97,-44.16,;35.98,-42.63,;37.31,-41.87,;37.31,-40.33,;38.64,-39.57,;39.97,-40.34,;41.31,-39.57,;42.65,-40.34,;41.31,-38.03,;39.97,-37.25,;38.64,-38.03,;37.31,-37.25,;35.98,-38.03,;35.98,-39.57,;34.65,-40.33,;33.32,-39.57,;31.99,-40.34,;33.32,-38.03,;34.65,-37.25,;34.65,-35.71,)|