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Target
DNA ligase
Ligand
BDBM50395801
Substrate
n/a
Meas. Tech.
ChEMBL_860483 (CHEMBL2166652)
IC50
2500±n/a nM
Citation
 Surivet, JP; Lange, R; Hubschwerlen, C; Keck, W; Specklin, JL; Ritz, D; Bur, D; Locher, H; Seiler, P; Strasser, DS; Prade, L; Kohl, C; Schmitt, C; Chapoux, G; Ilhan, E; Ekambaram, N; Athanasiou, A; Knezevic, A; Sabato, D; Chambovey, A; Gaertner, M; Enderlin, M; Boehme, M; Sippel, V; Wyss, P Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity. Bioorg Med Chem Lett 22:6705-11 (2012) [PubMed]  Article 
Target
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:
MADLSSRVNELHDLLNQYSYEYYVEDNPSVPDSEYDKLLHELIKIEEEHPEYKTVDSPTVRVGGEAQASFNKVNHDTPMLSLGNAFNEDDLRKFDQRIREQIGNVEYMCELKIDGLAVSLKYVDGYFVQGLTRGDGTTGEDITENLKTIHAIPLKMKEPLNVEVRGEAYMPRRSFLRLNEEKEKNDEQLFANPRNAAAGSLRQLDSKLTAKRKLSVFIYSVNDFTDFNARSQSEALDELDKLGFTTNKNRARVNNIDGVLEYIEKWTSQRESLPYDIDGIVIKVNDLDQQDEMGFTQKSPRWAIAYKFPAEEVVTKLLDIELSIGRTGVVTPTAILEPVKVAGTTVSRASLHNEDLIHDRDIRIGDSVVVKKAGDIIPEVVRSIPERRPEDAVTYHMPTHCPSCGHELVRIEGEVALRCINPKCQAQLVEGLIHFVSRQAMNIDGLGTKIIQQLYQSELIKDVADIFYLTEEDLLPLDRMGQKKVDNLLAAIQQAKDNSLENLLFGLGIRHLGVKASQVLAEKYETIDRLLTVTEAELVEIHDIGDKVAQSVVTYLENEDIRALIQKLKDKHVNMIYKGIKTSDIEGHPEFSGKTIVLTGKLHQMTRNEASKWLASQGAKVTSSVTKNTDVVIAGEDAGSKLTKAQSLGIEIWTEQQFVDKQNELNS
  
Inhibitor
Name:
BDBM50395801
Synonyms:
CHEMBL2165173
Type:
Small organic molecule
Emp. Form.:
C8H10N6O
Mol. Mass.:
206.2046
SMILES:
COc1nc2nc(N)nc(N)c2nc1C
Structure:
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