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Target
DNA topoisomerase 1
Ligand
BDBM50496609
Substrate
n/a
Meas. Tech.
ChEMBL_1300504 (CHEMBL3135820)
IC50
500000±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:
BDBM50496609
Synonyms:
CHEMBL3134418
Type:
Small organic molecule
Emp. Form.:
C19H20O7
Mol. Mass.:
360.3579
SMILES:
CCCCCc1cc(OC(=O)c2ccc(O)cc2O)cc(O)c1C(O)=O
Structure:
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