Reaction Details Report a problem with these data
Target
DNA topoisomerase 1
Ligand
BDBM379474
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:
BDBM379474
Synonyms:
US10266550, Compound 11i
Type:
Small organic molecule
Emp. Form.:
C22H20FN3O4
Mol. Mass.:
409.4103
SMILES:
Nc1ccc2c(c1)oc1c(NC3CCCCC3)c(F)cc3c1n2cc(C(O)=O)c3=O
Structure:
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