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Target
DNA ligase
Ligand
BDBM50444582
Substrate
n/a
Meas. Tech.
ChEMBL_1281919 (CHEMBL3101193)
IC50
15±n/a nM
Citation
 Howard, S; Amin, N; Benowitz, AB; Chiarparin, E; Cui, H; Deng, X; Heightman, TD; Holmes, DJ; Hopkins, A; Huang, J; Jin, Q; Kreatsoulas, C; Martin, AC; Massey, F; McCloskey, L; Mortenson, PN; Pathuri, P; Tisi, D; Williams, 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:
BDBM50444582
Synonyms:
CHEMBL3099715
Type:
Small organic molecule
Emp. Form.:
C13H11F3N6O
Mol. Mass.:
324.2612
SMILES:
OCCNc1cc(nc(n1)-c1n[nH]c2cnccc12)C(F)(F)F
Structure:
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