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Target
DNA gyrase subunit B
Ligand
BDBM50500053
Substrate
n/a
Meas. Tech.
ChEMBL_1541747 (CHEMBL3745429)
IC50
6440±n/a nM
Citation
 Bobesh, KA; Renuka, J; Srilakshmi, RR; Yellanki, S; Kulkarni, P; Yogeeswari, P; Sriram, D Replacement of cardiotoxic aminopiperidine linker with piperazine moiety reduces cardiotoxicity? Mycobacterium tuberculosis novel bacterial topoisomerase inhibitors. Bioorg Med Chem 24:42-52 (2016) [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:
BDBM50500053
Synonyms:
CHEMBL3741142
Type:
Small organic molecule
Emp. Form.:
C22H25BrN4O2
Mol. Mass.:
457.364
SMILES:
COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccc(Br)cc4)CC3)c2c1
Structure:
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