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Target
DNA gyrase subunit B
Ligand
BDBM50605627
Substrate
n/a
Meas. Tech.
ChEMBL_2252312 (CHEMBL5166522)
IC50
10000±n/a nM
Citation
 Govender, P; Müller, R; Singh, K; Reddy, V; Eyermann, CJ; Fienberg, S; Ghorpade, SR; Koekemoer, L; Myrick, A; Schnappinger, D; Engelhart, C; Meshanni, J; Byl, JAW; Osheroff, N; Singh, V; Chibale, K; Basarab, GS Spiropyrimidinetrione DNA Gyrase Inhibitors with Potent and Selective Antituberculosis Activity. J Med Chem 65:6903-6925 (2022) [PubMed] 
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:
BDBM50605627
Synonyms:
CHEMBL5186061
Type:
Small organic molecule
Emp. Form.:
C23H23FN6O5
Mol. Mass.:
482.4643
SMILES:
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1CC[C@@H](C1)C#N |r|
Structure:
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