| Reaction Details |
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 | Report a problem with these data |
| Target | DNA topoisomerase 4 subunit A/B |
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| Ligand | BDBM50572196 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2116525 (CHEMBL4825466) |
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| IC50 | 90±n/a nM |
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| Citation |  Kokot, M; Weiss, M; Zdovc, I; Hrast, M; Anderluh, M; Minovski, N Structurally Optimized Potent Dual-Targeting NBTI Antibacterials with an Enhanced Bifurcated Halogen-Bonding Propensity. ACS Med Chem Lett12:1478-1485 (2021) [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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| BDBM50572196 |
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| n/a |
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| Name | BDBM50572196 |
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| Synonyms: | CHEMBL4879265 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H26FIN4O |
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| Mol. Mass. | 520.3816 |
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| SMILES | COc1ccc2nccc(CCN3CCC(CC3)NCc3ccc(I)c(F)c3)c2n1 |
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| Structure | 
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