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TargetDNA ligase
LigandBDBM50444574
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1281919 (CHEMBL3101193)
IC50 130000±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 Lett4:1208-12 (2013) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50444574
n/a
NameBDBM50444574
Synonyms:CHEMBL3099708
TypeSmall organic molecule
Emp. Form.C8H8N4O
Mol. Mass.176.1753
SMILESCOc1cccc(n1)-c1nnc[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: