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TargetDNA gyrase
LigandBDBM50173723
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1580968
IC50 9.0±n/a nM
Citation Cross JBZhang JYang QMesleh MFRomero JAWang BBevan DPoutsiaka KMEpie FMoy TDaniel AShotwell JChamberlain BCarter NAndersen OBarker JRyan MDMetcalf CASilverman JNguyen KLippa BDolle 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]
More Info.:Get all data from this article,  Assay Method
 
DNA gyrase
Name:DNA gyrase
Synonyms:DNA gyrase subunit B (gyrB)
Type:Enzyme Subunit
Mol. Mass.:72530.91
Organism:Staphylococcus aureus
Description:n/a
Residue:644
Sequence:
MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEAL
AGYANQIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTVLHAGGKFGGGGYKVS
GGLHGVGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKAD
GEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYEGGIKSYVELL
NENKEPIHDEPIYIHQSKDDIEVEIAIQYNSGYATNLLTYANNIHTYEGGTHEDGFKRAL
TRVLNSYGLSSKIMKEEKDRLSGEDTREGMTAIISIKHGDPQFEGQTKTKLGNSEVRQVV
DKLFSEHFERFLYENPQVARTVVEKGIMAARARVAAKKAREVTRRKSALDVASLPGKLAD
CSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEKARLDRILNNNEIRQ
MITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGYVYIA
QPPLYKLTQGKQKYYVYNDRELDKLKSELNPTPKWSIARYKGLGEMNADQLWETTMNPEH
RALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYANLDF
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  Blast E-value cutoff:
BDBM50173723
n/a
NameBDBM50173723
Synonyms:CHEMBL3809816
TypeSmall organic molecule
Emp. Form.C22H26N6OS
Mol. Mass.422.546
SMILESCCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN(CC)CC)nc3)c2ccc1=O
Structure
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