Reaction Details |
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Target | DNA gyrase subunit A |
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Ligand | BDBM50518948 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1873691 (CHEMBL4374980) |
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IC50 | <100±n/a nM |
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Citation | Magarņ, G; Prati, F; Garofalo, B; Corso, G; Furlotti, G; Apicella, C; Mangano, G; D'Atanasio, N; Robinson, D; Di Giorgio, FP; Ombrato, R Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens. J Med Chem62:7445-7472 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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DNA gyrase subunit A |
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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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BDBM50518948 |
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n/a |
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Name | BDBM50518948 |
Synonyms: | CHEMBL4574863 |
Type | Small organic molecule |
Emp. Form. | C26H26F2N4O4 |
Mol. Mass. | 496.5058 |
SMILES | COc1ccc2cc(F)nc(N3CCN(CC(O)CNc4cc(=O)oc5ccc(F)cc45)CC3)c2c1 |
Structure |
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