| Reaction Details |
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 | Report a problem with these data |
| Target | DNA ligase |
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| Ligand | BDBM50131401 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1526866 |
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| IC50 | 42±n/a nM |
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| Citation |  Murphy-Benenato, KE; Gingipalli, L; Boriack-Sjodin, PA; Martinez-Botella, G; Carcanague, D; Eyermann, CJ; Gowravaram, M; Harang, J; Hale, MR; Ioannidis, G; Jahic, H; Johnstone, M; Kutschke, A; Laganas, VA; Loch, JT; Miller, MD; Oguto, H; Patel, SJ Negishi cross-coupling enabled synthesis of novel NAD(+)-dependent DNA ligase inhibitors and SAR development. Bioorg Med Chem Lett25:5172-7 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| DNA ligase |
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| Name: | DNA ligase |
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| Synonyms: | DNLJ_STAAU | Polydeoxyribonucleotide synthase [NAD(+)] | lig | ligA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 75059.93 |
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| Organism: | Staphylococcus aureus |
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| Description: | ChEMBL_1281598 |
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| Residue: | 667 |
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| Sequence: | MADLSSRVNELHDLLNQYSYEYYVEDNPSVPDSEYDKLLHELIKIEEEHPEYKTVDSPTV
RVGGEAQASFNKVNHDTPMLSLGNAFNEDDLRKFDQRIREQIGNVEYMCELKIDGLAVSL
KYVDGYFVQGLTRGDGTTGEDITENLKTIHAIPLKMKEPLNVEVRGEAYMPRRSFLRLNE
EKEKNDEQLFANPRNAAAGSLRQLDSKLTAKRKLSVFIYSVNDFTDFNARSQSEALDELD
KLGFTTNKNRARVNNIDGVLEYIEKWTSQRESLPYDIDGIVIKVNDLDQQDEMGFTQKSP
RWAIAYKFPAEEVVTKLLDIELSIGRTGVVTPTAILEPVKVAGTTVSRASLHNEDLIHDR
DIRIGDSVVVKKAGDIIPEVVRSIPERRPEDAVTYHMPTHCPSCGHELVRIEGEVALRCI
NPKCQAQLVEGLIHFVSRQAMNIDGLGTKIIQQLYQSELIKDVADIFYLTEEDLLPLDRM
GQKKVDNLLAAIQQAKDNSLENLLFGLGIRHLGVKASQVLAEKYETIDRLLTVTEAELVE
IHDIGDKVAQSVVTYLENEDIRALIQKLKDKHVNMIYKGIKTSDIEGHPEFSGKTIVLTG
KLHQMTRNEASKWLASQGAKVTSSVTKNTDVVIAGEDAGSKLTKAQSLGIEIWTEQQFVD
KQNELNS
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| BDBM50131401 |
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| n/a |
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| Name | BDBM50131401 |
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| Synonyms: | CHEMBL3632791 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H15N9 |
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| Mol. Mass. | 309.3292 |
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| SMILES | CC(C)(C)c1nc(-c2cnn[nH]2)c2c(N)c(C#N)c(N)nc2n1 |
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| Structure | 
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