| Reaction Details |
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 | Report a problem with these data |
| Target | DNA gyrase subunit A/B |
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| Ligand | BDBM21690 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_304947 (CHEMBL826975) |
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| IC50 | 15000±n/a nM |
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| 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 Chem48:5232-42 (2005) [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: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 304947 |
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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: | 5.6.2.2 | DNA gyrase subunit A | GYRA_STAAM | gyrA |
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| Type: | PROTEIN |
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| Mol. Mass.: | 99619.92 |
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| Organism: | Staphylococcus aureus subsp. aureus Mu50 |
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| Description: | ChEMBL_104885 |
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| Residue: | 889 |
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| Sequence: | MAELPQSRINERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRILYGLNEQGMTP
DKSYKKSARIVGDVMGKYHPHGDLSIYEAMVRMAQDFSYRYPLVDGQGNFGSMDGDGAAA
MRYTEARMTKITLELLRDINKDTIDFIDNYDGNEREPSVLPARFPNLLANGASGIAVGMA
TNIPPHNLTELINGVLSLSKNPDISIAELMEDIEGPDFPTAGLILGKSGIRRAYETGRGS
IQMRSRAVIEERGGGRQRIVVTEIPFQVNKARMIEKIAELVRDKKIDGITDLRDETSLRT
GVRVVIDVRKDANASVILNNLYKQTPLQTSFGVNMIALVNGRPKLINLKEALVHYLEHQK
TVVRRRTQYNLRKAKDRAHILEGLRIALDHIDEIISTIRESDTDKVAMKSLQQRFKLSEK
QAQAILDMRLRRLTGLERDKIEAEYNELLNYISELETILADEEVLLQLVRDELTEIRDRF
GDDRRTEIQLGGFEDLEDEDLIPEEQIVITLSHNNYIKRLPVSTYRAQNRGGRGVQGMNT
LEEDFVSQLVTLSTHDHVLFFTNKGRVYKLKGYEVPELSRQSKGIPVVNAIELENDEVIS
TMIAVKDLESEDNFLVFATKRGVVKRSALSNFSRINRNGKIAISFREDDELIAVRLTSGQ
EDILIGTSHASLIRFPESTLRPLGRTATGVKGITLREGDEVVGLDVAHANSVDEVLVVTE
NGYGKRTPVNDYRLSNRGGKGIKTATITERNGNVVCITTVTGEEDLMIVTNAGVIIRLDV
ADISQNGRAAQGVRLIRLGDDQFVSTVAKVKEDAEDETNEDEQSTSTVSEDGTEQQREAV
VNDETPGNAIHTEVIDSEENDEDGRIEVRQDFMDRVEEDIQQSSDEDEE
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| Component 2 |
| Name: | DNA gyrase subunit B |
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| Synonyms: | 5.6.2.2 | DNA gyrase subunit B | GYRB_STAAM | gyrB |
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| Type: | PROTEIN |
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| Mol. Mass.: | 72531.96 |
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| Organism: | Staphylococcus aureus subsp. aureus Mu50 |
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| Description: | ChEMBL_104885 |
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| Residue: | 644 |
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| Sequence: | MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWEIVDNSIDEAL
AGYANKIEVVIEKDNWIKVTDNGRGIPVDIQEKMGRPAVEVILTVLHAGGKFGGGGYKVS
GGLHGVGSSVVNALSQDLEVYVHRNETIYHQAYKKGVPQFDLKEVGTTDKTGTVIRFKAD
GEIFTETTVYNYETLQQRIRELAFLNKGIQITLRDERDEENVREDSYHYEGGIKSYVELL
NENKEPIHDEPIYIHQSKDDIEVEIAIQYNSGYATNLLTYANNIHTYEGGTHEDGFKRAL
TRVLNSYGLSSKIMKEEKDRLSGEDTREGMTAIISIKHGDPQFEGQTKTKLGNSEVRQVV
DKLFSEHFERFLYENPQVARTVVEKGIMAARARVAAKKAREVTRRKSALDVASLPGKLAD
CSSKSPEECEIFLVEGDSAGGSTKSGRDSRTQAILPLRGKILNVEKARLDRILNNNEIRQ
MITAFGTGIGGDFDLAKARYHKIVIMTDADVDGAHIRTLLLTFFYRFMRPLIEAGYVYIA
QPPLYKLTQGKQKYYVYNDRELDKLKSELNPTPKWSIARYKGLGEMNADQLWETTMNPEH
RALLQVKLEDAIEADQTFEMLMGDVVENRRQFIEDNAVYANLDF
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| BDBM21690 |
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| n/a |
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| Name | BDBM21690 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H18FN3O3 |
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| Mol. Mass. | 331.3415 |
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| SMILES | OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O |
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| Structure | 
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