Reaction Details |
| Report a problem with these data |
Target | DNA ligase |
---|
Ligand | BDBM50131493 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEBML_1526866 |
---|
IC50 | 690±n/a nM |
---|
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 |
---|
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
|
|
|
BDBM50131493 |
---|
n/a |
---|
Name | BDBM50131493 |
Synonyms: | CHEMBL3634887 |
Type | Small organic molecule |
Emp. Form. | C12H12N6 |
Mol. Mass. | 240.2639 |
SMILES | Nc1nc2nc(ncc2c(N)c1C#N)C1CCC1 |
Structure |
|