| Reaction Details |
|---|
 | Report a problem with these data |
| Target | DNA ligase |
|---|
| Ligand | BDBM50395800 |
|---|
| Substrate/Competitor | 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 Lett22:6705-11 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| DNA ligase |
|---|
| 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
|
|
|
|---|
| BDBM50395800 |
|---|
| n/a |
|---|
| Name | BDBM50395800 |
|---|
| Synonyms: | CHEMBL2165174 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C11H9N5O |
|---|
| Mol. Mass. | 227.2221 |
|---|
| SMILES | Nc1cc(n[nH]c1=O)-c1nc2ccccc2[nH]1 |
|---|
| Structure | 
|
|---|
Search and Browse
