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Target
DNA topoisomerase 1
Ligand
BDBM50496615
Substrate
n/a
Meas. Tech.
ChEMBL_1300504 (CHEMBL3135820)
IC50
>1000000±n/a nM
Citation
 Lin, H; Annamalai, T; Bansod, P; Tse-Dinh, YC; Sun, D Synthesis and antibacterial evaluation of anziaic acid and analogues as topoisomerase I inhibitors. Medchemcomm 4:0 (2013) [PubMed]  Article 
Target
Name:
DNA topoisomerase 1
Synonyms:
DNA topoisomerase I | supX
Type:
PROTEIN
Mol. Mass.:
97991.27
Organism:
Yersinia pestis
Description:
ChEMBL_104164
Residue:
871
Sequence:
MGKALVIVESPAKAKTINKYLGNDYVVKSSVGHIRDLPTSGSASKKSANSAEEKAKKDDKPKKKVKKDEKVALVNRMGVDPYHGWKAQYEILSGKEKVVAELKALAENADHIYLATDLDREGEAIAWHLREVIGGDDKRFSRVVFNEITKNAIQQAFNQPGELNISRVNAQQARRFMDRVVGYMVSPLLWKKIARGLSAGRVQSVAVRLVVEREKEIKAFVPEEYWELHADLVAKGDIPIQMEVTHAHGKPFKPVNREQTHAALTLLENARYKVLDREDKPTSSKPSAPFITSTLQQAASTRLSFGVKKTMMMAQRLYEAGHITYMRTDSTNLSQDALTMVRGYIGDNFGDKYLPATPNQYSSKENSQEAHEAIRPSDVNVLAEQLKDMEADAQRLYQLIWRQFVACQMPPAKYDSTTLTVQAGDFQLRAKGRTLRFDGWTKVMPALRKGDEDRTLPVIEVGSDLDLQKLIPSQHFTKPPARYSEASLVKELEKRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNYDFTARMESGLDQVANDQAEWKAVLDGFFAEFSEQLEKAEKDPEEGGMRPNQMVMTSIDCPTCGRQMGIRTASTGVFLGCSGYALPPKERCKTTINLVPDAEILNILEGDDAETNALRARRRCQKCGTAMDSYLIDNQRKLHVCGNNPACDGYEIEAGEFRIKGYEGPIVECEKCGSEMHLKMGRFGKYMGCTNDECKNTRKILRSGEVAPPKEDPVPLLELPCEKSDAYFVLRDGAAGVFLAANTFPKSRETRAPLVEELVRFKDRLPEKLRYLADAPVVDKEGNKTLVRFSRKTKQQYVSSEKDGKATGWSAFYIDGKWVEAKK
  
Inhibitor
Name:
BDBM50496615
Synonyms:
CHEMBL3134417
Type:
Small organic molecule
Emp. Form.:
C35H28O7
Mol. Mass.:
560.5926
SMILES:
Oc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)ccc1C(=O)OCc1ccccc1
Structure:
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