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Target
DNA gyrase subunit A/B
Ligand
BDBM21688
Substrate
Kinetoplast DNA
Meas. Tech.
DNA Gyrase Activity Assay
pH
7.5±n/a
Temperature
303.15±n/a K
IC50
31000±n/a nM
Citation
 Butler, MM; Lamarr, WA; Foster, KA; Barnes, MH; Skow, DJ; Lyden, PT; Kustigian, LM; Zhi, C; Brown, NC; Wright, GE; Bowlin, TL Antibacterial activity and mechanism of action of a novel anilinouracil-fluoroquinolone hybrid compound. Antimicrob Agents Chemother 51:119-27 (2007) [PubMed]  Article
Target
Name:
DNA gyrase subunit A/B
Synonyms:
DNA Gyrase
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
The gyrA and gyrB subunits of B. subtilis DNA gyrase were purified from recombinant strains and combined to form active heterodimers.
Components:
This complex has 2 components.
Component 1
Name:
DNA gyrase subunit A
Synonyms:
DNA Gyrase Chain A | GYRA_BACSU | cafB | gyrA | nalA
Type:
Enzyme Subunit
Mol. Mass.:
92082.27
Organism:
Bacillus subtilis
Description:
n/a
Residue:
821
Sequence:
MSEQNTPQVREINISQEMRTSFLDYAMSVIVSRALPDVRDGLKPVHRRILYAMNDLGMTSDKPYKKSARIVGEVIGKYHPHGDSAVYESMVRMAQDFNYRYMLVDGHGNFGSVDGDSAAAMRYTEARMSKISMEILRDITKDTIDYQDNYDGSEREPVVMPSRFPNLLVNGAAGIAVGMATNIPPHQLGEIIDGVLAVSENPDITIPELMEVIPGPDFPTAGQILGRSGIRKAYESGRGSITIRAKAEIEQTSSGKERIIVTELPYQVNKAKLIEKIADLVRDKKIEGITDLRDESDRTGMRIVIEIRRDANANVILNNLYKQTALQTSFGINLLALVDGQPKVLTLKQCLEHYLDHQKVVIRRRTAYELRKAEARAHILEGLRVALDHLDAVISLIRNSQTAEIARTGLIEQFSLTEKQAQAILDMRLQRLTGLEREKIEEEYQSLVKLIAELKDILANEYKVLEIIREELTEIKERFNDERRTEIVTSGLETIEDEDLIERENIVVTLTHNGYVKRLPASTYRSQKRGGKGVQGMGTNEDDFVEHLISTSTHDTILFFSNKGKVYRAKGYEIPEYGRTAKGIPIINLLEVEKGEWINAIIPVTEFNAELYLFFTTKHGVSKRTSLSQFANIRNNGLIALSLREDDELMGVRLTDGTKQIIIGTKNGLLIRFPETDVREMGRTAAGVKGITLTDDDVVVGMEILEEESHVLIVTEKGYGKRTPAEEYRTQSRGGKGLKTAKITENNGQLVAVKATKGEEDLMIITASGVLIRMDINDISITGRVTQGVRLIRMAEEEHVATVALVEKNEEDENEEEQEEV
  
Component 2
Name:
DNA gyrase subunit B
Synonyms:
DNA Gyrase Chain B | GYRB_BACSU | gyrB | novA
Type:
Enzyme Subunit
Mol. Mass.:
71492.72
Organism:
Bacillus subtilis
Description:
n/a
Residue:
638
Sequence:
MEQQQNSYDENQIQVLEGLEAVRKRPGMYIGSTNSKGLHHLVWEIVDNSIDEALAGYCTDINIQIEKDNSITVVDNGRGIPVGIHEKMGRPAVEVIMTVLHAGGKFDGSGYKVSGGLHGVGASVVNALSTELDVTVHRDGKIHRQTYKRGVPVTDLEIIGETDHTGTTTHFVPDPEIFSETTEYDYDLLANRVRELAFLTKGVNITIEDKREGQERKNEYHYEGGIKSYVEYLNRSKEVVHEEPIYIEGEKDGITVEVALQYNDSYTSNIYSFTNNINTYEGGTHEAGFKTGLTRVINDYARKKGLIKENDPNLSGDDVREGLTAIISIKHPDPQFEGQTKTKLGNSEARTITDTLFSTAMETFMLENPDAAKKIVDKGLMAARARMAAKKARELTRRKSALEISNLPGKLADCSSKDPSISELYIVEGDSAGGSAKQGRDRHFQAILPLRGKILNVEKARLDKILSNNEVRSMITALGTGIGEDFNLEKARYHKVVIMTDADVDGAHIRTLLLTFFYRYMRQIIENGYVYIAQPPLYKVQQGKRVEYAYNDKELEELLKTLPQTPKPGLQRYKGLGEMNATQLWETTMDPSSRTLLQVTLEDAMDADETFEMLMGDKVEPRRNFIEANARYVKNLDI
  
Inhibitor
Name:
BDBM21688
Synonyms:
1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)amino]-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}butyl)-3-methylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-cyclopropyl-7-[4-(4-{4-[(3-ethyl-4-methylphenyl)amino]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}butyl)-3-methylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 251D | CHEMBL201900
Type:
Small organic molecule
Emp. Form.:
C35H40F2N6O5
Mol. Mass.:
662.7261
SMILES:
CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Kinetoplast DNA
Synonyms:
KDNA (catenated)
Type:
Duplex DNA
Mol. Mass.:
358.43
Organism:
Crithidia fasciculata
Description:
n/a
Residue:
3
Sequence:
NA