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Target
DNA gyrase subunit B
Ligand
BDBM50388096
Substrate
n/a
Meas. Tech.
ChEMBL_830517 (CHEMBL2061329)
IC50
133±n/a nM
Citation
 Manchester, JI; Dussault, DD; Rose, JA; Boriack-Sjodin, PA; Uria-Nickelsen, M; Ioannidis, G; Bist, S; Fleming, P; Hull, KG Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV. Bioorg Med Chem Lett 22:5150-6 (2012) [PubMed]  Article 
Target
Name:
DNA gyrase subunit B
Synonyms:
DNA gyrase | DNA gyrase subunit B (DNA gyraseB) | DNA gyrase subunit B (gyrB) | GYRB_STAAU | gyrB
Type:
Enzyme Subunit
Mol. Mass.:
72530.91
Organism:
Staphylococcus aureus
Description:
n/a
Residue:
644
Sequence:
MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEALAGYANQIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTVLHAGGKFGGGGYKVSGGLHGVGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKADGEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYEGGIKSYVELLNENKEPIHDEPIYIHQSKDDIEVEIAIQYNSGYATNLLTYANNIHTYEGGTHEDGFKRALTRVLNSYGLSSKIMKEEKDRLSGEDTREGMTAIISIKHGDPQFEGQTKTKLGNSEVRQVVDKLFSEHFERFLYENPQVARTVVEKGIMAARARVAAKKAREVTRRKSALDVASLPGKLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEKARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGYVYIAQPPLYKLTQGKQKYYVYNDRELDKLKSELNPTPKWSIARYKGLGEMNADQLWETTMNPEHRALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYANLDF
  
Inhibitor
Name:
BDBM50388096
Synonyms:
CHEMBL2059374
Type:
Small organic molecule
Emp. Form.:
C21H17F3N6O3
Mol. Mass.:
458.3933
SMILES:
CCNC(=O)c1cc2c(c(cnc2[nH]1)-c1cncc(c1)C(O)=O)-n1nc(cc1C)C(F)(F)F |(24.55,-4.68,;25.31,-6.02,;26.85,-6.02,;27.62,-7.35,;26.85,-8.69,;29.16,-7.35,;30.07,-8.61,;31.54,-8.13,;32.88,-8.9,;34.21,-8.13,;34.21,-6.58,;32.87,-5.82,;31.54,-6.58,;30.07,-6.1,;35.54,-8.9,;35.54,-10.44,;36.88,-11.21,;38.21,-10.44,;38.2,-8.89,;36.87,-8.13,;39.54,-8.11,;40.87,-8.87,;39.53,-6.57,;32.88,-10.44,;34.13,-11.34,;33.65,-12.81,;32.11,-12.81,;31.63,-11.34,;30.17,-10.86,;34.55,-14.05,;33.93,-15.46,;36.09,-13.89,;35.31,-15.38,)|
Structure:
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