Reaction Details Report a problem with these data
Target
DNA topoisomerase 4 subunit A
Ligand
BDBM50518934
Substrate
n/a
Meas. Tech.
ChEMBL_1873693 (CHEMBL4374982)
IC50
7500±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 Chem 62:7445-7472 (2019) [PubMed]  Article 
Target
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:
MSEIIQDLSLEDVLGDRFGRYSKYIIQERALPDVRDGLKPVQRRILYAMYSSGNTHDKNFRKSAKTVGDVIGQYHPHGDFSVYKAMVRLSQDWKLRHVLIEMHGNNGSIDNDPPAAMRYTEAKLSLLAEELLRDINKETVSFIPNYDDTTLEPMVLPSRFPNLLVNGSTGISAGYATDIPPHNLAEVIQATLKYIDNPDITVNQLMKYIKGPDFPTGGIIQGIDGIKKAYESGKGRIIVRSKVEEETLRNGRKQLIITEIPYEVNKSSLVKRIDELRADKKVDGIVEVRDETDRTGLRIAIELKKDVNSESIKNYLYKNSDLQISYNFNMVAISDGRPKLMGIRQIIDSYLNHQIEVVANRTKFELDNAEKRMHIVEGLIKALSILDKVIELIRSSKNKRDAKENLIEVFEFTEEQAEAIVMLQLYRLTNTDIVALEGEHKELEALIKQLRHILDNHDALLNVIKEELNEIKKKFKSERLSLIEAEIEEIKIDKEVMVPSEEVILSMTRHGYIKRTSIRSFNASGVEDIGLKDGDSLLKHQEVNTQDTVLVFTNKGRYLFIPVHKLADIRWKELGQHVSQIVPIEEDEVVINVFNEKDFNTDAFYVFATQNGMIKKSTVPLFKTTRFNKPLIATKVKENDDLISVMRFEKDQLITVITNKGMSLTYNTSELSDTGLRAAGVKSINLKAEDFVVMTEGVSENDTILMATQRGSLKRISFKILQVAKRAQRGITLLKELKKNPHRIVAAHVVTGEHSQYTLYSKSNEEHGLINDIHKSEQYTNGSFIVDTDDFGEVIDMYIS
  
Inhibitor
Name:
BDBM50518934
Synonyms:
CHEMBL4530941
Type:
Small organic molecule
Emp. Form.:
C26H28N4O2
Mol. Mass.:
428.5261
SMILES:
Cc1cc2ccccc2c(n1)N1CCN(CCCNc2cc(=O)oc3ccccc23)CC1
Structure:
Search PDB for entries with ligand similarity: