| Reaction Details |
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 | Report a problem with these data |
| Target | DNA topoisomerase 4 subunit A/B |
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| Ligand | BDBM50596272 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2220028 (CHEMBL5133362) |
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| IC50 | 3360±n/a nM |
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| Citation |  Flagstad, T; Pedersen, MT; Jakobsen, TH; Felding, J; Tolker-Nielsen, T; Givskov, M; Qvortrup, K; Nielsen, TE Solid-phase synthesis and biological evaluation of piperazine-based novel bacterial topoisomerase inhibitors. Bioorg Med Chem Lett57:0 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| DNA topoisomerase 4 subunit A/B |
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| Name: | DNA topoisomerase 4 subunit A/B |
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| Synonyms: | Topoisomerase IV |
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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 2012758 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | DNA topoisomerase 4 subunit A |
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| Synonyms: | PARC_STAAU | Topoisomerase IV subunit A | grlA | parC |
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| Type: | PROTEIN |
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| Mol. Mass.: | 91040.14 |
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| Organism: | Staphylococcus aureus |
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| Description: | ChEMBL_340188 |
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| Residue: | 800 |
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| Sequence: | MSEIIQDLSLEDVLGDRFGRYSKYIIQERALPDVRDGLKPVQRRILYAMYSSGNTHDKNF
RKSAKTVGDVIGQYHPHGDFSVYKAMVRLSQDWKLRHVLIEMHGNNGSIDNDPPAAMRYT
EAKLSLLAEELLRDINKETVSFIPNYDDTTLEPMVLPSRFPNLLVNGSTGISAGYATDIP
PHNLAEVIQATLKYIDNPDITVNQLMKYIKGPDFPTGGIIQGIDGIKKAYESGKGRIIVR
SKVEEETLRNGRKQLIITEIPYEVNKSSLVKRIDELRADKKVDGIVEVRDETDRTGLRIA
IELKKDVNSESIKNYLYKNSDLQISYNFNMVAISDGRPKLMGIRQIIDSYLNHQIEVVAN
RTKFELDNAEKRMHIVEGLIKALSILDKVIELIRSSKNKRDAKENLIEVFEFTEEQAEAI
VMLQLYRLTNTDIVALEGEHKELEALIKQLRHILDNHDALLNVIKEELNEIKKKFKSERL
SLIEAEIEEIKIDKEVMVPSEEVILSMTRHGYIKRTSIRSFNASGVEDIGLKDGDSLLKH
QEVNTQDTVLVFTNKGRYLFIPVHKLADIRWKELGQHVSQIVPIEEDEVVINVFNEKDFN
TDAFYVFATQNGMIKKSTVPLFKTTRFNKPLIATKVKENDDLISVMRFEKDQLITVITNK
GMSLTYNTSELSDTGLRAAGVKSINLKAEDFVVMTEGVSENDTILMATQRGSLKRISFKI
LQVAKRAQRGITLLKELKKNPHRIVAAHVVTGEHSQYTLYSKSNEEHGLINDIHKSEQYT
NGSFIVDTDDFGEVIDMYIS
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| Component 2 |
| Name: | DNA topoisomerase 4 subunit B |
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| Synonyms: | DNA topoisomerase 4 subunit B | DNA topoisomerase 4 subunit B (parE) | PARE_STAA8 | Topoisomerase IV subunit B | grlB | parE |
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| Type: | Enzyme |
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| Mol. Mass.: | 74365.92 |
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| Organism: | Staphylococcus aureus |
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| Description: | Q2FYS5 |
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| Residue: | 663 |
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| Sequence: | MNKQNNYSDDSIQVLEGLEAVRKRPGMYIGSTDKRGLHHLVYEIVDNSVDEVLNGYGNEI
DVTINKDGSISIEDNGRGMPTGIHKSGKPTVEVIFTVLHAGGKFGQGGYKTSGGLHGVGA
SVVNALSEWLEVEIHRDGNIYHQSFKNGGSPSSGLVKKGKTKKTGTKVTFKPDDTIFKAS
TSFNFDVLSERLQESAFLLKNLKITLNDLRSGKERQEHYHYEEGIKEFVSYVNEGKEVLH
DVATFSGEANGIEVDVAFQYNDQYSESILSFVNNVRTKDGGTHEVGFKTAMTRVFNDYAR
RINELKTKDKNLDGNDIREGLTAVVSVRIPEELLQFEGQTKSKLGTSEARSAVDSVVADK
LPFYLEEKGQLSKSLVKKAIKAQQAREAARKAREDARSGKKNKRKDTLLSGKLTPAQSKN
TEKNELYLVEGDSAGGSAKLGRDRKFQAILPLRGKVINTEKARLEDIFKNEEINTIIHTI
GAGVGTDFKIEDSNYNRVIIMTDADTDGAHIQVLLLTFFFKYMKPLVQAGRVFIALPPLY
KLEKGKGKTKRVEYAWTDEELNKLQKELGKGFTLQRYKGLGEMNPEQLWETTMNPETRTL
IRVQVEDEVRSSKRVTTLMGDKVQPRREWIEKHVEFGMQEDQSILDNSEVQVLENDQFDE
EEI
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| BDBM50596272 |
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| n/a |
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| Name | BDBM50596272 |
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| Synonyms: | CHEMBL5199813 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H30FN3O3 |
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| Mol. Mass. | 463.5438 |
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| SMILES | COc1ccc2ncc(F)c(CCCN3CCN(C\C=C\c4ccccc4)C[C@@H]3C(O)=O)c2c1 |r| |
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| Structure | 
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