Reaction Details  Report a problem with these data
Target
DNA gyrase subunit A
Ligand
BDBM50478009
Substrate
n/a
Meas. Tech.
ChEMBL_464479 (CHEMBL948210)
IC50
16800±n/a nM
Citation
 Dinakaran, M; Senthilkumar, P; Yogeeswari, P; China, A; Nagaraja, V; Sriram, D Novel ofloxacin derivatives: synthesis, antimycobacterial and toxicological evaluation. Bioorg Med Chem Lett 18:1229-36 (2008) [PubMed]  Article
Target
Name:
DNA gyrase subunit A
Synonyms:
5.6.2.2 | DNA gyrase subunit A | GYRA_MYCSM | gyrA
Type:
PROTEIN
Mol. Mass.:
94927.62
Organism:
Mycobacterium smegmatis
Description:
ChEMBL_102869
Residue:
854
Sequence:
MTDTTLPPEGEAHDRIEPVDIQQEMQRSYIDYAMSVIVGRALPEVRDGLKPVHRRVLYAMYDSASSDRSHAKSARSVAETMGNYHPHGDASIYDTLVRMAQPWSLRYPLVDGQGNFGSPGNDPPAAMRYTEARLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSRGIAVGMATNNPPHNLGELAEAVYWCLENYEADEEATCEAVMERVKGPDFPTSGLIVGTQGIEDTYKTGRGSIKMRGVVEIEEDSRGRTSIVITELPYQVNHDNFITSIAEQVRDGKLAGISNIEDQSSDRVGLRIVVELKRDAVAKVVLNNLYKHTQLQTSFGANMLSIVDGVPRTLRLDQLIRLYVDHQLDVIVRRTRYRLRKANERAHILRGLVKALDALDEVIALIRASQTVDIARAGLIELLDIDDIQAQAILDMQLRRLAALERQKIVDDLAKIEAEIADLEDILAKPERQRGIVRDELKEIVDKHGDARRTRIVPADGQVSDEDLIAREDVVVTITETGYAKRTKTDLYHSQKRGGKGVQGAGLKQDDMVNHFFVCSTHDWILFFTTQGRVYRAKAYELPEASRTARGQHVANLLAFQPEERIAQVIQIKSYEDAPYLVLATRNGLVKKSKLSDFDSNRSGGIVAINLREGDELVGAVLCSAEDDLLLVSANRQSIRFSATDEALRPMGRATSGVQGMRFNEDDRLLSLNVVRPDTYLLVATSGGYAKRTSIDEYSVQGRGGKGILTIQYDRKRGSLVGALIVDDDTELYAITSTGGVIRTAARQVRKAGRQTKGVRLMNLAEGDTLIAIARNGRGRGGRVDQRIRRGHRRVTRGVMETLRSRKVLGPS
  
Inhibitor
Name:
BDBM50478009
Synonyms:
CHEMBL226901
Type:
Small organic molecule
Emp. Form.:
C30H26ClFN4O6
Mol. Mass.:
593.002
SMILES:
CC1COc2c(N3CCN(CC3)C(c3ccccc3)c3ccc(Cl)cc3)c(F)c([N+]([O-])=O)c3c2n1cc(C(O)=O)c3=O
Structure:
Search PDB for entries with ligand similarity: