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Target
DNA gyrase subunit A
Ligand
BDBM50131428
Substrate
n/a
Meas. Tech.
ChEMBL_680858 (CHEMBL1284664)
IC50
9200±n/a nM
Citation
 Pucci, MJ; Ackerman, M; Thanassi, JA; Shoen, CM; Cynamon, MH In vitro antituberculosis activities of ACH-702, a novel isothiazoloquinolone, against quinolone-susceptible and quinolone-resistant isolates. Antimicrob Agents Chemother 54:3478-80 (2010) [PubMed]  Article 
Target
Name:
DNA gyrase subunit A
Synonyms:
GYRA_MYCTU | Type IIA topoisomerase subunit GyrA | gyrA
Type:
Protein
Mol. Mass.:
92261.11
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
P9WG47
Residue:
838
Sequence:
MTDTTLPPDDSLDRIEPVDIEQEMQRSYIDYAMSVIVGRALPEVRDGLKPVHRRVLYAMFDSGFRPDRSHAKSARSVAETMGNYHPHGDASIYDSLVRMAQPWSLRYPLVDGQGNFGSPGNDPPAAMRYTEARLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSGGIAVGMATNIPPHNLRELADAVFWALENHDADEEETLAAVMGRVKGPDFPTAGLIVGSQGTADAYKTGRGSIRMRGVVEVEEDSRGRTSLVITELPYQVNHDNFITSIAEQVRDGKLAGISNIEDQSSDRVGLRIVIEIKRDAVAKVVINNLYKHTQLQTSFGANMLAIVDGVPRTLRLDQLIRYYVDHQLDVIVRRTTYRLRKANERAHILRGLVKALDALDEVIALIRASETVDIARAGLIELLDIDEIQAQAILDMQLRRLAALERQRIIDDLAKIEAEIADLEDILAKPERQRGIVRDELAEIVDRHGDDRRTRIIAADGDVSDEDLIAREDVVVTITETGYAKRTKTDLYRSQKRGGKGVQGAGLKQDDIVAHFFVCSTHDLILFFTTQGRVYRAKAYDLPEASRTARGQHVANLLAFQPEERIAQVIQIRGYTDAPYLVLATRNGLVKKSKLTDFDSNRSGGIVAVNLRDNDELVGAVLCSAGDDLLLVSANGQSIRFSATDEALRPMGRATSGVQGMRFNIDDRLLSLNVVREGTYLLVATSGGYAKRTAIEEYPVQGRGGKGVLTVMYDRRRGRLVGALIVDDDSELYAVTSGGGVIRTAARQVRKAGRQTKGVRLMNLGEGDTLLAIARNAEESGDDNAVDANGADQTGN
  
Inhibitor
Name:
BDBM50131428
Synonyms:
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 | 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 | 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 | 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) | 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)-octahydropyrrolo[3,4-b]pyridin-6-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 | 5-fluoro-7-methoxy-6-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | Avelox | CHEMBL32 | MOXIFLOXACIN | Moxifloxin | Vigamox | motifloxacin
Type:
Small organic molecule
Emp. Form.:
C21H26FN3O4
Mol. Mass.:
403.4472
SMILES:
COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
Structure:
Search PDB for entries with ligand similarity: