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TargetDNA ligase
LigandBDBM50131424
Substrate/Competitorn/a
Meas. Tech.ChEBML_1526866
IC50 110±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: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:
BDBM50131424
NameBDBM50131424
Synonyms:CHEMBL3632772
TypeSmall organic molecule
Emp. Form.C16H22N6
Mol. Mass.298.3861
SMILESCCCCc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C
Structure
n/a