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Target
DNA topoisomerase 4 subunit A
Ligand
BDBM50131428
Substrate
n/a
Meas. Tech.
ChEMBL_340188 (CHEMBL864372)
IC50
800±n/a nM
Citation
 Wiles, JA; Wang, Q; Lucien, E; Hashimoto, A; Song, Y; Cheng, J; Marlor, CW; Ou, Y; Podos, SD; Thanassi, JA; Thoma, CL; Deshpande, M; Pucci, MJ; Bradbury, BJ Isothiazoloquinolones containing functionalized aromatic hydrocarbons at the 7-position: synthesis and in vitro activity of a series of potent antibacterial agents with diminished cytotoxicity in human cells. Bioorg Med Chem Lett 16:1272-6 (2006) [PubMed]  Article 
Target
Name:
DNA topoisomerase 4 subunit A
Synonyms:
PARC_STAAU | parC | grlA | Topoisomerase IV subunit A
Type:
PROTEIN
Mol. Mass.:
91040.14
Organism:
Staphylococcus aureus
Description:
ChEMBL_340188
Residue:
800
Sequence:
MSEIIQDLSLEDVLGDRFGRYSKYIIQERALPDVRDGLKPVQRRILYAMYSSGNTHDKNFRKSAKTVGDVIGQYHPHGDFSVYKAMVRLSQDWKLRHVLIEMHGNNGSIDNDPPAAMRYTEAKLSLLAEELLRDINKETVSFIPNYDDTTLEPMVLPSRFPNLLVNGSTGISAGYATDIPPHNLAEVIQATLKYIDNPDITVNQLMKYIKGPDFPTGGIIQGIDGIKKAYESGKGRIIVRSKVEEETLRNGRKQLIITEIPYEVNKSSLVKRIDELRADKKVDGIVEVRDETDRTGLRIAIELKKDVNSESIKNYLYKNSDLQISYNFNMVAISDGRPKLMGIRQIIDSYLNHQIEVVANRTKFELDNAEKRMHIVEGLIKALSILDKVIELIRSSKNKRDAKENLIEVFEFTEEQAEAIVMLQLYRLTNTDIVALEGEHKELEALIKQLRHILDNHDALLNVIKEELNEIKKKFKSERLSLIEAEIEEIKIDKEVMVPSEEVILSMTRHGYIKRTSIRSFNASGVEDIGLKDGDSLLKHQEVNTQDTVLVFTNKGRYLFIPVHKLADIRWKELGQHVSQIVPIEEDEVVINVFNEKDFNTDAFYVFATQNGMIKKSTVPLFKTTRFNKPLIATKVKENDDLISVMRFEKDQLITVITNKGMSLTYNTSELSDTGLRAAGVKSINLKAEDFVVMTEGVSENDTILMATQRGSLKRISFKILQVAKRAQRGITLLKELKKNPHRIVAAHVVTGEHSQYTLYSKSNEEHGLINDIHKSEQYTNGSFIVDTDDFGEVIDMYIS
  
Inhibitor
Name:
BDBM50131428
Synonyms:
CHEMBL32 | 1-Cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4,4a,8a-tetrahydro-quinoline-3-carboxylic acid(moxifloxacin) | Moxifloxin | 1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-7-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | motifloxacin | 1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahydro-pyrrolo[3,4-b]pyridin-6-yl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid | Vigamox | 1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-Cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,2,3,4-tetrahydro-quinoline-3-carboxylic acid | Avelox | 5-fluoro-7-methoxy-6-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1-Cyclopropyl-6-fluoro-8-methoxy-7-(4S,4aS)-octahydro-pyrrolo[3,4-b]pyridin-6-yl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid | 1-Cyclopropyl-6-fluoro-8-methoxy-7-(4aS,7aS)-octahydro-pyrrolo[3,4-b]pyridin-6-yl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid | MOXIFLOXACIN
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: