Reaction Details |
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Target | DNA ligase |
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Ligand | BDBM50131416 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1526866 |
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IC50 | 1100±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 |
Synonyms: | DNLJ_STAAU | Polydeoxyribonucleotide synthase [NAD(+)] | lig | ligA |
Type: | PROTEIN |
Mol. Mass.: | 75059.93 |
Organism: | Staphylococcus aureus |
Description: | ChEMBL_1281598 |
Residue: | 667 |
Sequence: | MADLSSRVNELHDLLNQYSYEYYVEDNPSVPDSEYDKLLHELIKIEEEHPEYKTVDSPTV
RVGGEAQASFNKVNHDTPMLSLGNAFNEDDLRKFDQRIREQIGNVEYMCELKIDGLAVSL
KYVDGYFVQGLTRGDGTTGEDITENLKTIHAIPLKMKEPLNVEVRGEAYMPRRSFLRLNE
EKEKNDEQLFANPRNAAAGSLRQLDSKLTAKRKLSVFIYSVNDFTDFNARSQSEALDELD
KLGFTTNKNRARVNNIDGVLEYIEKWTSQRESLPYDIDGIVIKVNDLDQQDEMGFTQKSP
RWAIAYKFPAEEVVTKLLDIELSIGRTGVVTPTAILEPVKVAGTTVSRASLHNEDLIHDR
DIRIGDSVVVKKAGDIIPEVVRSIPERRPEDAVTYHMPTHCPSCGHELVRIEGEVALRCI
NPKCQAQLVEGLIHFVSRQAMNIDGLGTKIIQQLYQSELIKDVADIFYLTEEDLLPLDRM
GQKKVDNLLAAIQQAKDNSLENLLFGLGIRHLGVKASQVLAEKYETIDRLLTVTEAELVE
IHDIGDKVAQSVVTYLENEDIRALIQKLKDKHVNMIYKGIKTSDIEGHPEFSGKTIVLTG
KLHQMTRNEASKWLASQGAKVTSSVTKNTDVVIAGEDAGSKLTKAQSLGIEIWTEQQFVD
KQNELNS
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BDBM50131416 |
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n/a |
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Name | BDBM50131416 |
Synonyms: | CHEMBL3632766 |
Type | Small organic molecule |
Emp. Form. | C12H14N6 |
Mol. Mass. | 242.2798 |
SMILES | CC(C)Cc1ncc2c(N)c(C#N)c(N)nc2n1 |
Structure |
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