Reaction Details Report a problem with these data
Target
DNA gyrase subunit B
Ligand
BDBM50366824
Substrate
n/a
Meas. Tech.
ChEMBL_1867206 (CHEMBL4368181)
IC50
13700±n/a nM
Citation
 Gao, F; Chen, Z; Ma, L; Fan, Y; Chen, L; Lu, G Synthesis and biological evaluation of moxifloxacin-acetyl-1,2,3-1H-triazole-methylene-isatin hybrids as potential anti-tubercular agents against both drug-susceptible and drug-resistant Mycobacterium tuberculosis strains. Eur J Med Chem 180:648-655 (2019) [PubMed]  Article 
Target
Name:
DNA gyrase subunit B
Synonyms:
5.6.2.2 | DNA gyrase subunit B | GYRB_MYCTU | gyrB
Type:
PROTEIN
Mol. Mass.:
74087.83
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_109655
Residue:
675
Sequence:
MAAQKKKAQDEYGAASITILEGLEAVRKRPGMYIGSTGERGLHHLIWEVVDNAVDEAMAGYATTVNVVLLEDGGVEVADDGRGIPVATHASGIPTVDVVMTQLHAGGKFDSDAYAISGGLHGVGVSVVNALSTRLEVEIKRDGYEWSQVYEKSEPLGLKQGAPTKKTGSTVRFWADPAVFETTEYDFETVARRLQEMAFLNKGLTINLTDERVTQDEVVDEVVSDVAEAPKSASERAAESTAPHKVKSRTFHYPGGLVDFVKHINRTKNAIHSSIVDFSGKGTGHEVEIAMQWNAGYSESVHTFANTINTHEGGTHEEGFRSALTSVVNKYAKDRKLLKDKDPNLTGDDIREGLAAVISVKVSEPQFEGQTKTKLGNTEVKSFVQKVCNEQLTHWFEANPTDAKVVVNKAVSSAQARIAARKARELVRRKSATDIGGLPGKLADCRSTDPRKSELYVVEGDSAGGSAKSGRDSMFQAILPLRGKIINVEKARIDRVLKNTEVQAIITALGTGIHDEFDIGKLRYHKIVLMADADVDGQHISTLLLTLLFRFMRPLIENGHVFLAQPPLYKLKWQRSDPEFAYSDRERDGLLEAGLKAGKKINKEDGIQRYKGLGEMDAKELWETTMDPSVRVLRQVTLDDAAAADELFSILMGEDVDARRSFITRNAKDVRFLDV
  
Inhibitor
Name:
BDBM50366824
Synonyms:
Avelox | MOXIFLOXACIN | Moxifl-oxacin
Type:
Small organic molecule
Emp. Form.:
C21H24FN3O4
Mol. Mass.:
401.4314
SMILES:
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r|
Structure:
Search PDB for entries with ligand similarity: