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Target
DNA gyrase subunit A/B
Ligand
BDBM21690
Substrate
n/a
Meas. Tech.
ChEMBL_304947 (CHEMBL826975)
IC50
15000±n/a nM
Citation
 de Souza, NJ; Gupte, SV; Deshpande, PK; Desai, VN; Bhawsar, SB; Yeole, RD; Shukla, MC; Strahilevitz, J; Hooper, DC; Bozdogan, B; Appelbaum, PC; Jacobs, MR; Shetty, N; Patel, MV; Jha, R; Khorakiwala, HF A chiral benzoquinolizine-2-carboxylic acid arginine salt active against vancomycin-resistant Staphylococcus aureus. J Med Chem 48:5232-42 (2005) [PubMed]  Article
Target
Name:
DNA gyrase subunit A/B
Synonyms:
DNA gyrase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 304947
Components:
This complex has 2 components.
Component 1
Name:
DNA gyrase subunit A
Synonyms:
5.6.2.2 | DNA gyrase subunit A | GYRA_STAAM | gyrA
Type:
PROTEIN
Mol. Mass.:
99619.92
Organism:
Staphylococcus aureus subsp. aureus Mu50
Description:
ChEMBL_104885
Residue:
889
Sequence:
MAELPQSRINERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTPDKSYKKSARIVGDVMGKYHPHGDLSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAAMRYTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGMATNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAGLILGKSGIRRAYETGRGSIQMRSRAVIEERGGGRQRIVVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLRTGVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQKTVVRRRTQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMKSLQQRFKLSEKQAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQLVRDELTEIRDRFGDDRRTEIQLGGFEDLEDEDLIPEEQIVITLSHNNYIKRLPVSTYRAQNRGGRGVQGMNTLEEDFVSQLVTLSTHDHVLFFTNKGRVYKLKGYEVPELSRQSKGIPVVNAIELENDEVISTMIAVKDLESEDNFLVFATKRGVVKRSALSNFSRINRNGKIAISFREDDELIAVRLTSGQEDILIGTSHASLIRFPESTLRPLGRTATGVKGITLREGDEVVGLDVAHANSVDEVLVVTENGYGKRTPVNDYRLSNRGGKGIKTATITERNGNVVCITTVTGEEDLMIVTNAGVIIRLDVADISQNGRAAQGVRLIRLGDDQFVSTVAKVKEDAEDETNEDEQSTSTVSEDGTEQQREAVVNDETPGNAIHTEVIDSEENDEDGRIEVRQDFMDRVEEDIQQSSDEDEE
  
Component 2
Name:
DNA gyrase subunit B
Synonyms:
5.6.2.2 | DNA gyrase subunit B | GYRB_STAAM | gyrB
Type:
PROTEIN
Mol. Mass.:
72531.96
Organism:
Staphylococcus aureus subsp. aureus Mu50
Description:
ChEMBL_104885
Residue:
644
Sequence:
MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEALAGYANKIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTVLHAGGKFGGGGYKVSGGLHGVGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKADGEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYEGGIKSYVELLNENKEPIHDEPIYIHQSKDDIEVEIAIQYNSGYATNLLTYANNIHTYEGGTHEDGFKRALTRVLNSYGLSSKIMKEEKDRLSGEDTREGMTAIISIKHGDPQFEGQTKTKLGNSEVRQVVDKLFSEHFERFLYENPQVARTVVEKGIMAARARVAAKKAREVTRRKSALDVASLPGKLADCSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEKARLDRILNNNEIRQMITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGYVYIAQPPLYKLTQGKQKYYVYNDRELDKLKSELNPTPKWSIARYKGLGEMNADQLWETTMNPEHRALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYANLDF
  
Inhibitor
Name:
BDBM21690
Synonyms:
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid | 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid | Bay 09867 | CHEMBL8 | Ciprinol | Cipro | Ciprofloxacin | US11590142, Compound Ciprofloxacin | US9138393, Ciprofloxacin HCl | US9144538, Ciprofloxacin HCl
Type:
Small organic molecule
Emp. Form.:
C17H18FN3O3
Mol. Mass.:
331.3415
SMILES:
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Structure:
Search PDB for entries with ligand similarity: