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Target
DNA gyrase subunit B
Ligand
BDBM50173872
Substrate
n/a
Meas. Tech.
ChEMBL_1580968 (CHEMBL3812636)
IC50
13±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 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:
BDBM50173872
Synonyms:
CHEMBL3810056
Type:
Small organic molecule
Emp. Form.:
C24H27N7O3S
Mol. Mass.:
493.581
SMILES:
CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN3CCOCC3)c2ccc1=O
Structure:
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