| Reaction Details |
|---|
 | Report a problem with these data |
| Target | DNA topoisomerase 4 subunit A |
|---|
| Ligand | BDBM50393503 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1873686 (CHEMBL4374975) |
|---|
| IC50 | 18000±n/a nM |
|---|
| Citation |  Magarņ, G; Prati, F; Garofalo, B; Corso, G; Furlotti, G; Apicella, C; Mangano, G; D'Atanasio, N; Robinson, D; Di Giorgio, FP; Ombrato, R Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens. J Med Chem62:7445-7472 (2019) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| DNA topoisomerase 4 subunit A |
|---|
| 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
|
|
|
|---|
| BDBM50393503 |
|---|
| n/a |
|---|
| Name | BDBM50393503 |
|---|
| Synonyms: | CHEMBL2158050 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H29FN2O4S2 |
|---|
| Mol. Mass. | 504.637 |
|---|
| SMILES | COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
