| Reaction Details |
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 | Report a problem with these data |
| Target | DNA-(apurinic or apyrimidinic site) endonuclease |
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| Ligand | BDBM50530036 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1911350 (CHEMBL4413796) |
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| IC50 | 2600±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 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 35560.12 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P27695 |
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| Residue: | 318 |
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| Sequence: | MPKRGKKGAVAEDGDELRTEPEAKKSKTAAKKNDKEAAGEGPALYEDPPDQKTSPSGKPA
TLKICSWNVDGLRAWIKKKGLDWVKEEAPDILCLQETKCSENKLPAELQELPGLSHQYWS
APSDKEGYSGVGLLSRQCPLKVSYGIGDEEHDQEGRVIVAEFDSFVLVTAYVPNAGRGLV
RLEYRQRWDEAFRKFLKGLASRKPLVLCGDLNVAHEEIDLRNPKGNKKNAGFTPQERQGF
GELLQAVPLADSFRHLYPNTPYAYTFWTYMMNARSKNVGWRLDYFLLSHSLLPALCDSKI
RSKALGSDHCPITLYLAL
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| BDBM50530036 |
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| n/a |
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| Name | BDBM50530036 |
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| Synonyms: | CHEMBL4465198 |
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| Type | Small organic molecule |
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| Emp. Form. | C40H43N5O5S |
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| Mol. Mass. | 705.865 |
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| SMILES | C[C@H]1\C=C\CC(=O)N[C@@H](CCc2ccccc2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1cccn1S(=O)(=O)c1ccc(C)cc1 |r,t:2| |
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| Structure | 
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