Reaction Details |
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Target | DNA topoisomerase 4 subunit A/B |
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Ligand | BDBM50547867 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2019368 (CHEMBL4672946) |
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IC50 | 290±n/a nM |
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Citation | Skok, ?; Baran?oková, M; Benek, O; Cruz, CD; Tammela, P; Toma?i?, T; Zidar, N; Ma?i?, LP; Zega, A; Stevenson, CEM; Mundy, JEA; Lawson, DM; Maxwell, A; Kikelj, D; Ila?, J Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. ACS Med Chem Lett11:2433-2440 (2020) [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 |
Synonyms: | Topoisomerase IV |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2012758 |
Components: | This complex has 2 components. |
Component 1 |
Name: | DNA topoisomerase 4 subunit A |
Synonyms: | PARC_STAAU | Topoisomerase IV subunit A | grlA | parC |
Type: | PROTEIN |
Mol. Mass.: | 91040.14 |
Organism: | Staphylococcus aureus |
Description: | ChEMBL_340188 |
Residue: | 800 |
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 |
Synonyms: | DNA topoisomerase 4 subunit B | DNA topoisomerase 4 subunit B (parE) | PARE_STAA8 | Topoisomerase IV subunit B | grlB | parE |
Type: | Enzyme |
Mol. Mass.: | 74365.92 |
Organism: | Staphylococcus aureus |
Description: | Q2FYS5 |
Residue: | 663 |
Sequence: | MNKQNNYSDDSIQVLEGLEAVRKRPGMYIGSTDKRGLHHLVYEIVDNSVDEVLNGYGNEI
DVTINKDGSISIEDNGRGMPTGIHKSGKPTVEVIFTVLHAGGKFGQGGYKTSGGLHGVGA
SVVNALSEWLEVEIHRDGNIYHQSFKNGGSPSSGLVKKGKTKKTGTKVTFKPDDTIFKAS
TSFNFDVLSERLQESAFLLKNLKITLNDLRSGKERQEHYHYEEGIKEFVSYVNEGKEVLH
DVATFSGEANGIEVDVAFQYNDQYSESILSFVNNVRTKDGGTHEVGFKTAMTRVFNDYAR
RINELKTKDKNLDGNDIREGLTAVVSVRIPEELLQFEGQTKSKLGTSEARSAVDSVVADK
LPFYLEEKGQLSKSLVKKAIKAQQAREAARKAREDARSGKKNKRKDTLLSGKLTPAQSKN
TEKNELYLVEGDSAGGSAKLGRDRKFQAILPLRGKVINTEKARLEDIFKNEEINTIIHTI
GAGVGTDFKIEDSNYNRVIIMTDADTDGAHIQVLLLTFFFKYMKPLVQAGRVFIALPPLY
KLEKGKGKTKRVEYAWTDEELNKLQKELGKGFTLQRYKGLGEMNPEQLWETTMNPETRTL
IRVQVEDEVRSSKRVTTLMGDKVQPRREWIEKHVEFGMQEDQSILDNSEVQVLENDQFDE
EEI
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BDBM50547867 |
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n/a |
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Name | BDBM50547867 |
Synonyms: | CHEMBL4793192 |
Type | Small organic molecule |
Emp. Form. | C16H16Cl3N5O2S |
Mol. Mass. | 448.755 |
SMILES | Cl.Cc1[nH]c(C(=O)Nc2nc3ccc(NC(=O)CCN)cc3s2)c(Cl)c1Cl |
Structure |
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