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Target
DNA-(apurinic or apyrimidinic site) endonuclease
Ligand
BDBM50530040
Substrate
n/a
Meas. Tech.
ChEMBL_1911350 (CHEMBL4413796)
IC50
1900±n/a nM
Citation
 Trilles, R; Beglov, D; Chen, Q; He, H; Wireman, R; Reed, A; Chennamadhavuni, S; Panek, JS; Brown, LE; Vajda, S; Porco, JA; Kelley, MR; Georgiadis, MM Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1. J Med Chem 62:1971-1988 (2019) [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:
BDBM50530040
Synonyms:
CHEMBL4581229
Type:
Small organic molecule
Emp. Form.:
C39H40ClN5O5S
Mol. Mass.:
726.283
SMILES:
C[C@H]1\C=C\CC(=O)N[C@H](Cc2ccc(Cl)cc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2|
Structure:
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