Ki Summary

Reaction Details

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Target

DNA gyrase subunit A

Ligand

BDBM50131428

Substrate/Competitor

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 Chemother54:3478-80 (2010) [PubMed] Article

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DNA gyrase subunit A

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:

MTDTTLPPDDSLDRIEPVDIEQEMQRSYIDYAMSVIVGRALPEVRDGLKPVHRRVLYAMF
DSGFRPDRSHAKSARSVAETMGNYHPHGDASIYDSLVRMAQPWSLRYPLVDGQGNFGSPG
NDPPAAMRYTEARLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSGG
IAVGMATNIPPHNLRELADAVFWALENHDADEEETLAAVMGRVKGPDFPTAGLIVGSQGT
ADAYKTGRGSIRMRGVVEVEEDSRGRTSLVITELPYQVNHDNFITSIAEQVRDGKLAGIS
NIEDQSSDRVGLRIVIEIKRDAVAKVVINNLYKHTQLQTSFGANMLAIVDGVPRTLRLDQ
LIRYYVDHQLDVIVRRTTYRLRKANERAHILRGLVKALDALDEVIALIRASETVDIARAG
LIELLDIDEIQAQAILDMQLRRLAALERQRIIDDLAKIEAEIADLEDILAKPERQRGIVR
DELAEIVDRHGDDRRTRIIAADGDVSDEDLIAREDVVVTITETGYAKRTKTDLYRSQKRG
GKGVQGAGLKQDDIVAHFFVCSTHDLILFFTTQGRVYRAKAYDLPEASRTARGQHVANLL
AFQPEERIAQVIQIRGYTDAPYLVLATRNGLVKKSKLTDFDSNRSGGIVAVNLRDNDELV
GAVLCSAGDDLLLVSANGQSIRFSATDEALRPMGRATSGVQGMRFNIDDRLLSLNVVREG
TYLLVATSGGYAKRTAIEEYPVQGRGGKGVLTVMYDRRRGRLVGALIVDDDSELYAVTSG
GGVIRTAARQVRKAGRQTKGVRLMNLGEGDTLLAIARNAEESGDDNAVDANGADQTGN

BDBM50131428

n/a

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