Target
DNA gyrase subunit B
Ligand
BDBM50499043
Substrate
n/a
Meas. Tech.
ChEMBL_1538955 (CHEMBL3737854)
IC50
240±n/a nM
Citation
 Zhang, JYang, QCross, JBRomero, JAPoutsiaka, KMEpie, FBevan, DWang, BZhang, YChavan, AZhang, XMoy, TDaniel, ANguyen, KChamberlain, BCarter, NShotwell, JSilverman, JMetcalf, CARyan, DLippa, BDolle, RE Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J Med Chem 58:8503-12 (2015) [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:
BDBM50499043
Synonyms:
CHEMBL3736504
Type:
Small organic molecule
Emp. Form.:
C21H23N5O
Mol. Mass.:
361.4402
SMILES:
CCNC(=O)Nc1cn(C2CCCC=C2)c2cc(cnc12)-c1cccnc1 |c:13|
Structure:
Search PDB for entries with ligand similarity: