| Reaction Details |
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 | Report a problem with these data |
| Target | DNA topoisomerase 4 subunit A/B |
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| Ligand | BDBM50393079 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1513891 (CHEMBL3611456) |
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| Ki | 28.0±n/a nM |
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| Citation |  O'Dowd, H; Shannon, DE; Chandupatla, KR; Dixit, V; Engtrakul, JJ; Ye, Z; Jones, SM; O'Brien, CF; Nicolau, DP; Tessier, PR; Crandon, JL; Song, B; Macikenas, D; Hanzelka, BL; Le Tiran, A; Bennani, YL; Charifson, PS; Grillot, AL Discovery and Characterization of a Water-Soluble Prodrug of a Dual Inhibitor of Bacterial DNA Gyrase and Topoisomerase IV. ACS Med Chem Lett6:822-6 (2015) [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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| BDBM50393079 |
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| n/a |
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| Name | BDBM50393079 |
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| Synonyms: | CHEMBL2152855 | US9040542, 23 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H25FN6O3 |
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| Mol. Mass. | 428.46 |
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| SMILES | CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O |r| |
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| Structure | 
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