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Target
DNA gyrase subunit A/B
Ligand
BDBM21690
Substrate
n/a
Meas. Tech.
ChEMBL_1778615 (CHEMBL4235607)
IC50
37726±n/a nM
Citation
 Chaturvedi, AK; Verma, AK; Thakur, JP; Roy, S; Bhushan Tripathi, S; Kumar, BS; Khwaja, S; Sachan, NK; Sharma, A; Chanda, D; Shanker, K; Saikia, D; Negi, AS A novel synthesis of 2-arylbenzimidazoles in molecular sieves-MeOH system and their antitubercular activity. Bioorg Med Chem 26:4551-4559 (2018) [PubMed]  Article
Target
Name:
DNA gyrase subunit A/B
Synonyms:
DNA gyrase subunit A/DNA gyrase subunit B
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1778615
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
DNA gyrase subunit A
Synonyms:
GYRA_MYCTU | Type IIA topoisomerase subunit GyrA | gyrA
Type:
Protein
Mol. Mass.:
92261.11
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
P9WG47
Residue:
838
Sequence:
MTDTTLPPDDSLDRIEPVDIEQEMQRSYIDYAMSVIVGRALPEVRDGLKPVHRRVLYAMFDSGFRPDRSHAKSARSVAETMGNYHPHGDASIYDSLVRMAQPWSLRYPLVDGQGNFGSPGNDPPAAMRYTEARLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSGGIAVGMATNIPPHNLRELADAVFWALENHDADEEETLAAVMGRVKGPDFPTAGLIVGSQGTADAYKTGRGSIRMRGVVEVEEDSRGRTSLVITELPYQVNHDNFITSIAEQVRDGKLAGISNIEDQSSDRVGLRIVIEIKRDAVAKVVINNLYKHTQLQTSFGANMLAIVDGVPRTLRLDQLIRYYVDHQLDVIVRRTTYRLRKANERAHILRGLVKALDALDEVIALIRASETVDIARAGLIELLDIDEIQAQAILDMQLRRLAALERQRIIDDLAKIEAEIADLEDILAKPERQRGIVRDELAEIVDRHGDDRRTRIIAADGDVSDEDLIAREDVVVTITETGYAKRTKTDLYRSQKRGGKGVQGAGLKQDDIVAHFFVCSTHDLILFFTTQGRVYRAKAYDLPEASRTARGQHVANLLAFQPEERIAQVIQIRGYTDAPYLVLATRNGLVKKSKLTDFDSNRSGGIVAVNLRDNDELVGAVLCSAGDDLLLVSANGQSIRFSATDEALRPMGRATSGVQGMRFNIDDRLLSLNVVREGTYLLVATSGGYAKRTAIEEYPVQGRGGKGVLTVMYDRRRGRLVGALIVDDDSELYAVTSGGGVIRTAARQVRKAGRQTKGVRLMNLGEGDTLLAIARNAEESGDDNAVDANGADQTGN
  
Inhibitor
Name:
BDBM21690
Synonyms:
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid | 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid | Bay 09867 | CHEMBL8 | Ciprinol | Cipro | Ciprofloxacin | US11590142, Compound Ciprofloxacin | US9138393, Ciprofloxacin HCl | US9144538, Ciprofloxacin HCl
Type:
Small organic molecule
Emp. Form.:
C17H18FN3O3
Mol. Mass.:
331.3415
SMILES:
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Structure:
Search PDB for entries with ligand similarity: