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Target
DNA-(apurinic or apyrimidinic site) endonuclease
Ligand
BDBM114652
Substrate
n/a
Meas. Tech.
ChEMBL_829669 (CHEMBL2061059)
IC50
1000±n/a nM
Citation
 Rai, G; Vyjayanti, VN; Dorjsuren, D; Simeonov, A; Jadhav, A; Wilson, DM; Maloney, DJ Synthesis, biological evaluation, and structure-activity relationships of a novel class of apurinic/apyrimidinic endonuclease 1 inhibitors. J Med Chem 55:3101-12 (2012) [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:
BDBM114652
Synonyms:
CHEMBL1706858 | MLS003178551 | N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide;2,2,2-trifluoroacetic acid | N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]ethanamide;2,2,2-tris(fluoranyl)ethanoic acid | SMR001522662 | cid_60138096
Type:
Small organic molecule
Emp. Form.:
C15H13N3OS2
Mol. Mass.:
315.413
SMILES:
CC(=O)Nc1sc2CNCc2c1-c1nc2ccccc2s1
Structure:
Search PDB for entries with ligand similarity: