Reaction Details
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Report a problem with these dataTarget
DNA-(apurinic or apyrimidinic site) endonuclease
Ligand
BDBM50388232
Substrate
n/a
Meas. Tech.
ChEMBL_829667 (CHEMBL2061057)
IC50
>57000±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 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:
BDBM50388232
Synonyms:
CHEMBL2059403
Type:
Small organic molecule
Emp. Form.:
C19H18N2OS
Mol. Mass.:
322.424
SMILES:
CC(=O)Nc1sc2CNCCc2c1-c1cccc2ccccc12 |(3.87,2.56,;2.33,2.58,;1.58,3.93,;1.54,1.26,;-0,1.29,;-1.25,2.2,;-2.51,1.29,;-4.01,1.61,;-5.05,.47,;-4.58,-1.01,;-3.06,-1.33,;-2.03,-.18,;-.48,-.18,;.47,-1.24,;-.33,-2.56,;.42,-3.91,;1.96,-3.93,;2.75,-2.59,;4.28,-2.61,;5.05,-1.29,;4.29,.05,;2.77,.06,;1.99,-1.26,)|
Structure:
