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TargetDNA ligase
LigandBDBM50131487
Substrate/Competitorn/a
Meas. Tech.ChEBML_1526866
IC50<40±n/a nM
Citation Murphy-Benenato, KEGingipalli, LBoriack-Sjodin, PAMartinez-Botella, GCarcanague, DEyermann, CJGowravaram, MHarang, JHale, MRIoannidis, GJahic, HJohnstone, MKutschke, ALaganas, VALoch, JTMiller, MDOguto, HPatel, 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50131487
n/a
NameBDBM50131487
Synonyms:CHEMBL3634881
TypeSmall organic molecule
Emp. Form.C13H15N5
Mol. Mass.241.2917
SMILESCC(C)(C)c1ccc2c(N)c(C#N)c(N)nc2n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: