Reaction Details |
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Target | DNA gyrase subunit A/B |
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Ligand | BDBM50112815 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1513890 (CHEMBL3611455) |
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Ki | <17.7±n/a nM |
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Citation | O'Dowd, H; Shannon, DE; Chandupatla, KR; Dixit, V; Engtrakul, JJ; Ye, Z; Jones, SM; O'Brien, CF; Nicolau, DP; Tessier, PR; Crandon, JL; Song, B; Macikenas, D; Hanzelka, BL; Le Tiran, A; Bennani, YL; Charifson, PS; Grillot, AL Discovery and Characterization of a Water-Soluble Prodrug of a Dual Inhibitor of Bacterial DNA Gyrase and Topoisomerase IV. ACS Med Chem Lett6:822-6 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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DNA gyrase subunit A/B |
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Name: | DNA gyrase subunit A/B |
Synonyms: | DNA Gyrase |
Type: | A2B2 tetramer |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | DNA gyrase subunit A |
Synonyms: | DNA gyrase subunit A (gyrA) | GYRA_STAAU | gyrA |
Type: | Enzyme Subunit |
Mol. Mass.: | 99588.82 |
Organism: | Staphylococcus aureus |
Description: | n/a |
Residue: | 889 |
Sequence: | MAELPQSRINERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTP
DKSYKKSARIVGDVMGKYHPHGDSSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAA
MRYTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGMA
TNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAGLILGKSGIRRAYETGRGS
IQMRSRAVIEERGGGRQRIVVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLRT
GVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQK
TVVRRRTQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMESLQQRFKLSEK
QAQAILDMRLRRLTGLERDKIEAEYNELLNYISELEAILADEEVLLQLVRDELTEIRDRF
GDDRRTEIQLGGFEDLEDEDLIPEEQIVITLSHNNYIKRLPVSTYRAQNRGGRGVQGMNT
LEEDFVSQLVTLSTHDHVLFFTNKGRVYKLKGYEVPELSRQSKGIPVVNAIELENDEVIS
TMIAVKDLESEDNFLVFATKRGVVKRSALSNFSRINRNGKIAISFREDDELIAVRLTSGQ
EDILIGTSHASLIRFPESTLRPLGRTATGVKGITLREGDEVVGLDVAHANSVDEVLVVTE
NGYGKRTPVNDYRLSNRGGKGIKTATITERNGNVVCITTVTGEEDLMIVTNAGVIIRLDV
ADISQNGRAAQGVRLIRLGDDQFVSTVAKVKEDAEDETNEDEQSTSTVSEDGTEQQREAV
VNDETPGNAIHTEVIDSEENDEDGRIEVRQDFMDRVEEDIQQSLDEDEE
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Component 2 |
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: | MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEAL
AGYANQIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTVLHAGGKFGGGGYKVS
GGLHGVGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKAD
GEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYEGGIKSYVELL
NENKEPIHDEPIYIHQSKDDIEVEIAIQYNSGYATNLLTYANNIHTYEGGTHEDGFKRAL
TRVLNSYGLSSKIMKEEKDRLSGEDTREGMTAIISIKHGDPQFEGQTKTKLGNSEVRQVV
DKLFSEHFERFLYENPQVARTVVEKGIMAARARVAAKKAREVTRRKSALDVASLPGKLAD
CSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEKARLDRILNNNEIRQ
MITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGYVYIA
QPPLYKLTQGKQKYYVYNDRELDKLKSELNPTPKWSIARYKGLGEMNADQLWETTMNPEH
RALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYANLDF
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BDBM50112815 |
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n/a |
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Name | BDBM50112815 |
Synonyms: | CHEMBL2221212 |
Type | Small organic molecule |
Emp. Form. | C21H26FN6O6P |
Mol. Mass. | 508.4399 |
SMILES | CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP(O)(O)=O |r| |
Structure |
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