Target
DNA ligase
Ligand
BDBM50444578
Substrate
n/a
Meas. Tech.
ChEMBL_1281919 (CHEMBL3101193)
IC50
17000±n/a nM
Citation
 Howard, SAmin, NBenowitz, ABChiarparin, ECui, HDeng, XHeightman, TDHolmes, DJHopkins, AHuang, JJin, QKreatsoulas, CMartin, ACMassey, FMcCloskey, LMortenson, PNPathuri, PTisi, DWilliams, PA Fragment-based discovery of 6-azaindazoles as inhibitors of bacterial DNA ligase. ACS Med Chem Lett 4:1208-12 (2013) [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:
BDBM50444578
Synonyms:
CHEMBL3099706
Type:
Small organic molecule
Emp. Form.:
C7H5ClN4
Mol. Mass.:
180.594
SMILES:
Clc1cccc(n1)-c1nnc[nH]1
Structure:
Search PDB for entries with ligand similarity: