Reaction Details Report a problem with these data
Target
DNA gyrase subunit B
Ligand
BDBM50143188
Substrate
n/a
Meas. Tech.
ChEMBL_1550878 (CHEMBL3762663)
IC50
840000±n/a nM
Citation
 Mesleh, MF; Cross, JB; Zhang, J; Kahmann, J; Andersen, OA; Barker, J; Cheng, RK; Felicetti, B; Wood, M; Hadfield, AT; Scheich, C; Moy, TI; Yang, Q; Shotwell, J; Nguyen, K; Lippa, B; Dolle, R; Ryan, MD Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg Med Chem Lett 26:1314-8 (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:
BDBM50143188
Synonyms:
CHEMBL1419183
Type:
Small organic molecule
Emp. Form.:
C13H11N3O
Mol. Mass.:
225.2459
SMILES:
Cc1cc(O)[nH]c2nnc(-c3ccccc3)c12
Structure:
Search PDB for entries with ligand similarity: