Reaction Details |
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Target | DNA gyrase subunit A/B |
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Ligand | BDBM50440325 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_982964 (CHEMBL2426901) |
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IC50 | 30±n/a nM |
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Citation | Surivet, JP; Zumbrunn, C; Rueedi, G; Hubschwerlen, C; Bur, D; Bruyère, T; Locher, H; Ritz, D; Keck, W; Seiler, P; Kohl, C; Gauvin, JC; Mirre, A; Kaegi, V; Dos Santos, M; Gaertner, M; Delers, J; Enderlin-Paput, M; Boehme, M Design, synthesis, and characterization of novel tetrahydropyran-based bacterial topoisomerase inhibitors with potent anti-gram-positive activity. J Med Chem56:7396-415 (2013) [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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BDBM50440325 |
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n/a |
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Name | BDBM50440325 |
Synonyms: | CHEMBL2424890 |
Type | Small organic molecule |
Emp. Form. | C25H28N4O5S |
Mol. Mass. | 496.579 |
SMILES | COc1ccc2cccc([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| |
Structure |
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