| Reaction Details |
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 | Report a problem with these data |
| Target | DNA topoisomerase 4 subunit A/B |
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| Ligand | BDBM50440331 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_982977 (CHEMBL2427061) |
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| IC50 | >8000±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 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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| BDBM50440331 |
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| n/a |
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| Name | BDBM50440331 |
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| Synonyms: | CHEMBL2424888 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H27N5O5S |
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| Mol. Mass. | 497.567 |
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| SMILES | COc1ccc2nccc([C@H](O)[C@@H](O)[C@@H]3CC[C@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r| |
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| Structure | 
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