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Target
DNA topoisomerase 1
Ligand
BDBM50259246
Substrate
n/a
Meas. Tech.
E. coli Topoisomerase I Relaxation Activity Inhibition Assay
IC50
1950±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_ECOLI | Untwisting enzyme | supX | topA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
97364.79
Organism:
Escherichia coli (strain K12)
Description:
P06612
Residue:
865
Sequence:
MGKALVIVESPAKAKTINKYLGSDYVVKSSVGHIRDLPTSGSAAKKSADSTSTKTAKKPKKDERGALVNRMGVDPWHNWEAHYEVLPGKEKVVSELKQLAEKADHIYLATDLDREGEAIAWHLREVIGGDDARYSRVVFNEITKNAIRQAFNKPGELNIDRVNAQQARRFMDRVVGYMVSPLLWKKIARGLSAGRVQSVAVRLVVEREREIKAFVPEEFWEVDASTTTPSGEALALQVTHQNDKPFRPVNKEQTQAAVSLLEKARYSVLEREDKPTTSKPGAPFITSTLQQAASTRLGFGVKKTMMMAQRLYEAGYITYMRTDSTNLSQDAVNMVRGYISDNFGKKYLPESPNQYASKENSQEAHEAIRPSDVNVMAESLKDMEADAQKLYQLIWRQFVACQMTPAKYDSTTLTVGAGDFRLKARGRILRFDGWTKVMPALRKGDEDRILPAVNKGDALTLVELTPAQHFTKPPARFSEASLVKELEKRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNYDFTAQMENSLDQVANHEAEWKAVLDHFFSDFTQQLDKAEKDPEEGGMRPNQMVLTSIDCPTCGRKMGIRTASTGVFLGCSGYALPPKERCKTTINLVPENEVLNVLEGEDAETNALRAKRRCPKCGTAMDSYLIDPKRKLHVCGNNPTCDGYEIEEGEFRIKGYDGPIVECEKCGSEMHLKMGRFGKYMACTNEECKNTRKILRNGEVAPPKEDPVPLPELPCEKSDAYFVLRDGAAGVFLAANTFPKSRETRAPLVEELYRFRDRLPEKLRYLADAPQQDPEGNKTMVRFSRKTKQQYVSSEKDGKATGWSAFYVDGKWVEGKK
  
Inhibitor
Name:
BDBM50259246
Synonyms:
CHEMBL4066307 | US10266550, Compound 10a
Type:
Small organic molecule
Emp. Form.:
C21H17FN4O6
Mol. Mass.:
440.3813
SMILES:
CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(ccc1n3cc(C(O)=O)c2=O)[N+]([O-])=O
Structure:
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