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Target
DNA gyrase subunit B
Ligand
BDBM50463770
Substrate
n/a
Meas. Tech.
ChEMBL_1779331 (CHEMBL4236323)
IC50
5.0±n/a nM
Citation
 McGarry, DH; Cooper, IR; Walker, R; Warrilow, CE; Pichowicz, M; Ratcliffe, AJ; Salisbury, AM; Savage, VJ; Moyo, E; Maclean, J; Smith, A; Charrier, C; Stokes, NR; Lindsay, DM; Kerr, WJ Design, synthesis and antibacterial properties of pyrimido[4,5-b]indol-8-amine inhibitors of DNA gyrase. Bioorg Med Chem Lett 28:2998-3003 (2018) [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:
BDBM50463770
Synonyms:
CHEMBL4238919
Type:
Small organic molecule
Emp. Form.:
C20H21FN8O2
Mol. Mass.:
424.4315
SMILES:
CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21
Structure:
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