Reaction Details  Report a problem with these data
Target
DNA topoisomerase 4 subunit A
Ligand
BDBM50045000
Substrate
n/a
Meas. Tech.
ChEMBL_329797 (CHEMBL854373)
IC50
3500±n/a nM
Citation
 Wiles, JA; Hashimoto, A; Thanassi, JA; Cheng, J; Incarvito, CD; Deshpande, M; Pucci, MJ; Bradbury, BJ Isothiazolopyridones: synthesis, structure, and biological activity of a new class of antibacterial agents. J Med Chem 49:39-42 (2006) [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:
BDBM50045000
Synonyms:
(NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid | (norfloxacin)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid | 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4,4a,8a-tetrahydro-quinoline-3-carboxylic acid (norfloxacin) | 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid | 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid (Norfloxacin) | 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid(1-norfloxacin) | 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid(Norfloxacin) | 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid | 1-ethyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | CHEMBL9 | Chibroxin | MK-366 | NORFLOXACIN | Noroxin
Type:
Small organic molecule
Emp. Form.:
C16H18FN3O3
Mol. Mass.:
319.3308
SMILES:
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Structure:
Search PDB for entries with ligand similarity: