Target
DNA gyrase subunit B
Ligand
BDBM50173875
Substrate
n/a
Meas. Tech.
ChEMBL_1580968 (CHEMBL3812636)
IC50
6.0±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]  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:
BDBM50173875
Synonyms:
CHEMBL3808756
Type:
Small organic molecule
Emp. Form.:
C19H17N5O3S
Mol. Mass.:
395.435
SMILES:
CCCn1c2[nH]nc(-c3nc(C(=O)OC)c(s3)-c3cccnc3)c2ccc1=O
Structure:
Search PDB for entries with ligand similarity: