Reaction Details Report a problem with these data
Target
DNA topoisomerase 1
Ligand
BDBM50259242
Substrate
n/a
Meas. Tech.
E. coli Topoisomerase I Relaxation Activity Inhibition Assay
IC50
240±n/a nM
Citation
 Tse-Dinh, Y; Sun, D Bacterial topoisomerase I inhibitors with antibacterial activity US Patent  US10266550 Publication Date 4/23/2019 
Target
Name:
DNA topoisomerase 1
Synonyms:
DNA topoisomerase I | Omega-protein | Relaxing enzyme | Swivelase | TOP1_MYCTU | Untwisting enzyme | topA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
102342.81
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
P9WG49
Residue:
934
Sequence:
MADPKTKGRGSGGNGSGRRLVIVESPTKARKLASYLGSGYIVESSRGHIRDLPRAASDVPAKYKSQPWARLGVNVDADFEPLYIISPEKRSTVSELRGLLKDVDELYLATDGDREGEAIAWHLLETLKPRIPVKRMVFHEITEPAIRAAAEHPRDLDIDLVDAQETRRILDRLYGYEVSPVLWKKVAPKLSAGRVQSVATRIIVARERDRMAFRSAAYWDILAKLDASVSDPDAAPPTFSARLTAVAGRRVATGRDFDSLGTLRKGDEVIVLDEGSATALAAGLDGTQLTVASAEEKPYARRPYPPFMTSTLQQEASRKLRFSAERTMSIAQRLYENGYITYMRTDSTTLSESAINAARTQARQLYGDEYVAPAPRQYTRKVKNAQEAHEAIRPAGETFATPDAVRRELDGPNIDDFRLYELIWQRTVASQMADARGMTLSLRITGMSGHQEVVFSATGRTLTFPGFLKAYVETVDELVGGEADDAERRLPHLTPGQRLDIVELTPDGHATNPPARYTEASLVKALEELGIGRPSTYSSIIKTIQDRGYVHKKGSALVPSWVAFAVTGLLEQHFGRLVDYDFTAAMEDELDEIAAGNERRTNWLNNFYFGGDHGVPDSVARSGGLKKLVGINLEGIDAREVNSIKLFDDTHGRPIYVRVGKNGPYLERLVAGDTGEPTPQRANLSDSITPDELTLQVAEELFATPQQGRTLGLDPETGHEIVAREGRFGPYVTEILPEPAADAAAAAQGVKKRQKAAGPKPRTGSLLRSMDLQTVTLEDALRLLSLPRVVGVDPASGEEITAQNGRYGPYLKRGNDSRSLVTEDQIFTITLDEALKIYAEPKRRGRQSASAPPLRELGTDPASGKPMVIKDGRFGPYVTDGETNASLRKGDDVASITDERAAELLADRRARGPAKRPARKAARKVPAKKAAKRD
  
Inhibitor
Name:
BDBM50259242
Synonyms:
CHEMBL4072011 | US10266550, Compound 11e
Type:
Small organic molecule
Emp. Form.:
C22H21FN4O5
Mol. Mass.:
440.4243
SMILES:
Nc1ccc2c(c1)oc1c(NCCN3CCOCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Structure:
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