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Target
DNA topoisomerase 1
Ligand
BDBM50372627
Substrate
n/a
Meas. Tech.
ChEMBL_465478 (CHEMBL933182)
IC50
9000±n/a nM
Citation
 Pouilhès, A; Kouklovsky, C; Langlois, Y; Baltaze, JP; Vispé, S; Annereau, JP; Barret, JM; Kruczynski, A; Bailly, C Synthesis and biological evaluation of bengacarboline derivatives. Bioorg Med Chem Lett 18:1212-6 (2008) [PubMed]  Article 
Target
Name:
DNA topoisomerase 1
Synonyms:
DNA topoisomerase I | DNA topoisomerase I (Topo I) | TOP1 | TOP1_HUMAN
Type:
Enzyme
Mol. Mass.:
90771.02
Organism:
Homo sapiens (Human)
Description:
P11387
Residue:
765
Sequence:
MSGDHLHNDSQIEADFRLNDSHKHKDKHKDREHRHKEHKKEKDREKSKHSNSEHKDSEKKHKEKEKTKHKDGSSEKHKDKHKDRDKEKRKEEKVRASGDAKIKKEKENGFSSPPQIKDEPEDDGYFVPPKEDIKPLKRPRDEDDADYKPKKIKTEDTKKEKKRKLEEEEDGKLKKPKNKDKDKKVPEPDNKKKKPKKEEEQKWKWWEEERYPEGIKWKFLEHKGPVFAPPYEPLPENVKFYYDGKVMKLSPKAEEVATFFAKMLDHEYTTKEIFRKNFFKDWRKEMTNEEKNIITNLSKCDFTQMSQYFKAQTEARKQMSKEEKLKIKEENEKLLKEYGFCIMDNHKERIANFKIEPPGLFRGRGNHPKMGMLKRRIMPEDIIINCSKDAKVPSPPPGHKWKEVRHDNKVTWLVSWTENIQGSIKYIMLNPSSRIKGEKDWQKYETARRLKKCVDKIRNQYREDWKSKEMKVRQRAVALYFIDKLALRAGNEKEEGETADTVGCCSLRVEHINLHPELDGQEYVVEFDFLGKDSIRYYNKVPVEKRVFKNLQLFMENKQPEDDLFDRLNTGILNKHLQDLMEGLTAKVFRTYNASITLQQQLKELTAPDENIPAKILSYNRANRAVAILCNHQRAPPKTFEKSMMNLQTKIDAKKEQLADARRDLKSAKADAKVMKDAKTKKVVESKKKAVQRLEEQLMKLEVQATDREENKQIALGTSKLNYLDPRITVAWCKKWGVPIEKIYNKTQREKFAWAIDMADEDYEF
  
Inhibitor
Name:
BDBM50372627
Synonyms:
CHEMBL406537
Type:
Small organic molecule
Emp. Form.:
C37H30Br2F3N5O3S
Mol. Mass.:
841.534
SMILES:
NCCc1c([nH]c2cc(Br)ccc12)C(c1cn(c2ccccc12)S(=O)(=O)c1ccccc1)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F |w:13.36|
Structure:
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