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Target
DNA topoisomerase 4 subunit B
Ligand
BDBM50173878
Substrate
n/a
Meas. Tech.
ChEMBL_1580966 (CHEMBL3812634)
IC50
746±n/a nM
Citation
 Cross, JB; Zhang, J; Yang, Q; Mesleh, MF; Romero, JA; Wang, B; Bevan, D; Poutsiaka, KM; Epie, F; Moy, T; Daniel, A; Shotwell, J; Chamberlain, B; Carter, N; Andersen, O; Barker, J; Ryan, MD; Metcalf, CA; Silverman, J; Nguyen, K; Lippa, B; Dolle, RE Discovery of Pyrazolopyridones as a Novel Class of Gyrase B Inhibitors Using Structure Guided Design. ACS Med Chem Lett 7:374-8 (2016) [PubMed]  Article 
Target
Name:
DNA topoisomerase 4 subunit B
Synonyms:
DNA topoisomerase 4 subunit B | DNA topoisomerase 4 subunit B (parE) | PARE_STAA8 | Topoisomerase IV subunit B | grlB | parE
Type:
Enzyme
Mol. Mass.:
74365.92
Organism:
Staphylococcus aureus
Description:
Q2FYS5
Residue:
663
Sequence:
MNKQNNYSDDSIQVLEGLEAVRKRPGMYIGSTDKRGLHHLVYEIVDNSVDEVLNGYGNEIDVTINKDGSISIEDNGRGMPTGIHKSGKPTVEVIFTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLEVEIHRDGNIYHQSFKNGGSPSSGLVKKGKTKKTGTKVTFKPDDTIFKASTSFNFDVLSERLQESAFLLKNLKITLNDLRSGKERQEHYHYEEGIKEFVSYVNEGKEVLHDVATFSGEANGIEVDVAFQYNDQYSESILSFVNNVRTKDGGTHEVGFKTAMTRVFNDYARRINELKTKDKNLDGNDIREGLTAVVSVRIPEELLQFEGQTKSKLGTSEARSAVDSVVADKLPFYLEEKGQLSKSLVKKAIKAQQAREAARKAREDARSGKKNKRKDTLLSGKLTPAQSKNTEKNELYLVEGDSAGGSAKLGRDRKFQAILPLRGKVINTEKARLEDIFKNEEINTIIHTIGAGVGTDFKIEDSNYNRVIIMTDADTDGAHIQVLLLTFFFKYMKPLVQAGRVFIALPPLYKLEKGKGKTKRVEYAWTDEELNKLQKELGKGFTLQRYKGLGEMNPEQLWETTMNPETRTLIRVQVEDEVRSSKRVTTLMGDKVQPRREWIEKHVEFGMQEDQSILDNSEVQVLENDQFDEEEI
  
Inhibitor
Name:
BDBM50173878
Synonyms:
CHEMBL3809316
Type:
Small organic molecule
Emp. Form.:
C16H13N5OS
Mol. Mass.:
323.372
SMILES:
CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Structure:
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