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Target
DNA-(apurinic or apyrimidinic site) endonuclease
Ligand
BDBM114649
Substrate
n/a
Meas. Tech.
ChEMBL_829667 (CHEMBL2061057)
IC50
3100±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:
BDBM114649
Synonyms:
CHEMBL1698064 | MLS002607791 | N-[3-(1,3-benzothiazol-2-yl)-5-isopropyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]acetamide;2,2,2-trifluoroacetic acid | N-[3-(1,3-benzothiazol-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]acetamide;2,2,2-trifluoroacetic acid | N-[3-(1,3-benzothiazol-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]ethanamide;2,2,2-tris(fluoranyl)ethanoic acid | SMR001522665 | cid_53338852
Type:
Small organic molecule
Emp. Form.:
C18H19N3OS2
Mol. Mass.:
357.493
SMILES:
CC(C)N1Cc2sc(NC(C)=O)c(-c3nc4ccccc4s3)c2C1
Structure:
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