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Target
DNA topoisomerase 4 subunit A/B
Ligand
BDBM50494811
Substrate
n/a
Meas. Tech.
ChEMBL_1279548 (CHEMBL3097461)
IC50
15.5±n/a nM
Citation
 Axford, LC; Agarwal, PK; Anderson, KH; Andrau, LN; Atherall, J; Barker, S; Bennett, JM; Blair, M; Collins, I; Czaplewski, LG; Davies, DT; Gannon, CT; Kumar, D; Lancett, P; Logan, A; Lunniss, CJ; Mitchell, DR; Offermann, DA; Palmer, JT; Palmer, N; Pitt, GR; Pommier, S; Price, D; Narasinga Rao, B; Saxena, R; Shukla, T; Singh, AK; Singh, M; Srivastava, A; Steele, C; Stokes, NR; Thomaides-Brears, HB; Tyndall, EM; Watson, D; Haydon, DJ Design, synthesis and biological evaluation of α-substituted isonipecotic acid benzothiazole analogues as potent bacterial type II topoisomerase inhibitors. Bioorg Med Chem Lett 23:6598-603 (2013) [PubMed]  Article 
Target
Name:
DNA topoisomerase 4 subunit A/B
Synonyms:
Topoisomerase IV
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2012758
Components:
This complex has 2 components.
Component 1
Name:
DNA topoisomerase 4 subunit A
Synonyms:
PARC_STAAU | parC | grlA | Topoisomerase IV subunit A
Type:
PROTEIN
Mol. Mass.:
91040.14
Organism:
Staphylococcus aureus
Description:
ChEMBL_340188
Residue:
800
Sequence:
MSEIIQDLSLEDVLGDRFGRYSKYIIQERALPDVRDGLKPVQRRILYAMYSSGNTHDKNFRKSAKTVGDVIGQYHPHGDFSVYKAMVRLSQDWKLRHVLIEMHGNNGSIDNDPPAAMRYTEAKLSLLAEELLRDINKETVSFIPNYDDTTLEPMVLPSRFPNLLVNGSTGISAGYATDIPPHNLAEVIQATLKYIDNPDITVNQLMKYIKGPDFPTGGIIQGIDGIKKAYESGKGRIIVRSKVEEETLRNGRKQLIITEIPYEVNKSSLVKRIDELRADKKVDGIVEVRDETDRTGLRIAIELKKDVNSESIKNYLYKNSDLQISYNFNMVAISDGRPKLMGIRQIIDSYLNHQIEVVANRTKFELDNAEKRMHIVEGLIKALSILDKVIELIRSSKNKRDAKENLIEVFEFTEEQAEAIVMLQLYRLTNTDIVALEGEHKELEALIKQLRHILDNHDALLNVIKEELNEIKKKFKSERLSLIEAEIEEIKIDKEVMVPSEEVILSMTRHGYIKRTSIRSFNASGVEDIGLKDGDSLLKHQEVNTQDTVLVFTNKGRYLFIPVHKLADIRWKELGQHVSQIVPIEEDEVVINVFNEKDFNTDAFYVFATQNGMIKKSTVPLFKTTRFNKPLIATKVKENDDLISVMRFEKDQLITVITNKGMSLTYNTSELSDTGLRAAGVKSINLKAEDFVVMTEGVSENDTILMATQRGSLKRISFKILQVAKRAQRGITLLKELKKNPHRIVAAHVVTGEHSQYTLYSKSNEEHGLINDIHKSEQYTNGSFIVDTDDFGEVIDMYIS
  
Component 2
Name:
DNA topoisomerase 4 subunit B
Synonyms:
Topoisomerase IV subunit B | DNA topoisomerase 4 subunit B | PARE_STAA8 | parE | grlB | DNA topoisomerase 4 subunit B (parE)
Type:
Enzyme
Mol. Mass.:
74365.92
Organism:
Staphylococcus aureus (strain NCTC 8325 / PS 47)
Description:
Q2FYS5
Residue:
663
Sequence:
MNKQNNYSDDSIQVLEGLEAVRKRPGMYIGSTDKRGLHHLVYEIVDNSVDEVLNGYGNEIDVTINKDGSISIEDNGRGMPTGIHKSGKPTVEVIFTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLEVEIHRDGNIYHQSFKNGGSPSSGLVKKGKTKKTGTKVTFKPDDTIFKASTSFNFDVLSERLQESAFLLKNLKITLNDLRSGKERQEHYHYEEGIKEFVSYVNEGKEVLHDVATFSGEANGIEVDVAFQYNDQYSESILSFVNNVRTKDGGTHEVGFKTAMTRVFNDYARRINELKTKDKNLDGNDIREGLTAVVSVRIPEELLQFEGQTKSKLGTSEARSAVDSVVADKLPFYLEEKGQLSKSLVKKAIKAQQAREAARKAREDARSGKKNKRKDTLLSGKLTPAQSKNTEKNELYLVEGDSAGGSAKLGRDRKFQAILPLRGKVINTEKARLEDIFKNEEINTIIHTIGAGVGTDFKIEDSNYNRVIIMTDADTDGAHIQVLLLTFFFKYMKPLVQAGRVFIALPPLYKLEKGKGKTKRVEYAWTDEELNKLQKELGKGFTLQRYKGLGEMNPEQLWETTMNPETRTLIRVQVEDEVRSSKRVTTLMGDKVQPRREWIEKHVEFGMQEDQSILDNSEVQVLENDQFDEEEI
  
Inhibitor
Name:
BDBM50494811
Synonyms:
CHEMBL3094350
Type:
Small organic molecule
Emp. Form.:
C26H27N7O3S
Mol. Mass.:
517.62
SMILES:
CCNC(=O)Nc1nc2cc(cc(-c3ccccn3)c2s1)-c1cnc(nc1)N1CCC(C)(CC1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: