Reaction Details |
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Target | DNA-(apurinic or apyrimidinic site) endonuclease |
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Ligand | BDBM50530039 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1911350 (CHEMBL4413796) |
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IC50 | 12100±n/a nM |
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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 Chem62:1971-1988 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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DNA-(apurinic or apyrimidinic site) endonuclease |
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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: | MPKRGKKGAVAEDGDELRTEPEAKKSKTAAKKNDKEAAGEGPALYEDPPDQKTSPSGKPA
TLKICSWNVDGLRAWIKKKGLDWVKEEAPDILCLQETKCSENKLPAELQELPGLSHQYWS
APSDKEGYSGVGLLSRQCPLKVSYGIGDEEHDQEGRVIVAEFDSFVLVTAYVPNAGRGLV
RLEYRQRWDEAFRKFLKGLASRKPLVLCGDLNVAHEEIDLRNPKGNKKNAGFTPQERQGF
GELLQAVPLADSFRHLYPNTPYAYTFWTYMMNARSKNVGWRLDYFLLSHSLLPALCDSKI
RSKALGSDHCPITLYLAL
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BDBM50530039 |
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n/a |
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Name | BDBM50530039 |
Synonyms: | CHEMBL4539845 |
Type | Small organic molecule |
Emp. Form. | C38H38ClN5O5S |
Mol. Mass. | 712.257 |
SMILES | C[C@H]1\C=C\CC(=O)N[C@@H](CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 |r,t:2| |
Structure |
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