| Reaction Details |
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 | Report a problem with these data |
| Target | DNA gyrase subunit A/B |
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| Ligand | BDBM50547867 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2019364 (CHEMBL4672942) |
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| IC50 | 1500±n/a nM |
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| Citation |  Skok, ?; Baran?oková, M; Benek, O; Cruz, CD; Tammela, P; Toma?i?, T; Zidar, N; Ma?i?, LP; Zega, A; Stevenson, CEM; Mundy, JEA; Lawson, DM; Maxwell, A; Kikelj, D; Ila?, J Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. ACS Med Chem Lett11:2433-2440 (2020) [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 |
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| Synonyms: | DNA Gyrase |
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| Type: | A2B2 tetramer |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | DNA gyrase subunit A |
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| Synonyms: | DNA gyrase subunit A (gyrA) | GYRA_STAAU | gyrA |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 99588.82 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 889 |
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| 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 |
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| Synonyms: | DNA gyrase | DNA gyrase subunit B (DNA gyraseB) | DNA gyrase subunit B (gyrB) | GYRB_STAAU | gyrB |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 72530.91 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 644 |
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| Sequence: | MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEAL
AGYANQIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTVLHAGGKFGGGGYKVS
GGLHGVGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKAD
GEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYEGGIKSYVELL
NENKEPIHDEPIYIHQSKDDIEVEIAIQYNSGYATNLLTYANNIHTYEGGTHEDGFKRAL
TRVLNSYGLSSKIMKEEKDRLSGEDTREGMTAIISIKHGDPQFEGQTKTKLGNSEVRQVV
DKLFSEHFERFLYENPQVARTVVEKGIMAARARVAAKKAREVTRRKSALDVASLPGKLAD
CSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEKARLDRILNNNEIRQ
MITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGYVYIA
QPPLYKLTQGKQKYYVYNDRELDKLKSELNPTPKWSIARYKGLGEMNADQLWETTMNPEH
RALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYANLDF
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| BDBM50547867 |
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| n/a |
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| Name | BDBM50547867 |
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| Synonyms: | CHEMBL4793192 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H16Cl3N5O2S |
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| Mol. Mass. | 448.755 |
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| SMILES | Cl.Cc1[nH]c(C(=O)Nc2nc3ccc(NC(=O)CCN)cc3s2)c(Cl)c1Cl |
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| Structure | 
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