Reaction Details Report a problem with these data
Target
DNA topoisomerase 1
Ligand
BDBM379465
Substrate
n/a
Meas. Tech.
E. coli Topoisomerase I Relaxation Activity Inhibition Assay
IC50
3900±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:
BDBM379465
Synonyms:
US10266550, Compound 10b
Type:
Small organic molecule
Emp. Form.:
C20H15FN4O6
Mol. Mass.:
426.3547
SMILES:
OC(=O)c1cn2c3ccc(cc3oc3c(N4CCNCC4)c(F)cc(c23)c1=O)[N+]([O-])=O
Structure:
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