Reaction Details Report a problem with these data
Target
DNA topoisomerase I
Ligand
BDBM50164888
Substrate
n/a
Meas. Tech.
ChEMBL_1980356 (CHEMBL4613618)
IC50
307000±n/a nM
Citation
 Alsayari, A; Muhsinah, AB; Hassan, MZ; Ahsan, MJ; Alshehri, JA; Begum, N Aurone: A biologically attractive scaffold as anticancer agent. Eur J Med Chem 166:417-431 (2019) [PubMed]  Article 
Target
Name:
DNA topoisomerase I
Synonyms:
5.6.2.1 | DNA topoisomerase 1 | DNA topoisomerase I | TOP1
Type:
PROTEIN
Mol. Mass.:
89735.02
Organism:
Bos taurus
Description:
ChEMBL_119672
Residue:
757
Sequence:
DSSLMVADSHKHKDKHKDREHRHKEHKKDKEKDREKSKHSNSEHKDSEKKHKEKEKTKHKDGSSEKHKDKHKDRDKEKRKEEKIKASGDAKIKKEKENGFSSPPRIKDEPEDDGYFAPPKEDIKPLKRPRDEDDADYKPKKIKTEDIKKEKKRKLEEEEDGKLKKPKNKDKDKDKKVPEPDSKKKKPKKEEEQKWKWWEEERYPEGIKWKFLEHKGPVFAPPYEPLPENVKFYYDGKVMKLSPKAEEVATFFAKMLDHEYTTKEIFRKNFFKDWRKEMTNEEKNIITNLSKCDFTQMSQYFKAQTEARKQMSKEEKLKIKEENEKLLKEYGFCVMDNHRERIANFKIEPPGLFRGRGNHPKMGMLKRRIMPEDIIINCSKDAKVPSPPPGHKWKEVRHDNKVTWLVSWTENIQGSIKYIMLNPSSRIKGEKDWQKYETARRLKKCVDKIRNQYREDWKSKEMKVRQRAVALYFIDKLALRAGNEKEEGETADTVGCCSLRVEHINLHPELDGQEYVVEFDFLGKDSIRYYNKVPVEKRVFKNLQLFMENKQPEDDLFDRLNTGILNKHLQDLMEGLTAKVFRTYNASITLQQQLKELTAPDENIPAKILSYNRANRAVAILCNHQRAPPKTFEKSMMNLQSKIDAKKEQLADARRDLKSAKADAKVLKDAKTKKVVESKKKAVQRLEEQLMKLEVQATDREENKQIALGTSKLNYLDPRITVAWCKKWGVPIEKIYNKTQREKFAWAIDMADEDYEF
  
Inhibitor
Name:
BDBM50164888
Synonyms:
6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene]-3H-benzofuran-2-one | CHEMBL195416 | isoaurostatin
Type:
Small organic molecule
Emp. Form.:
C15H10O4
Mol. Mass.:
254.2375
SMILES:
Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Structure:
Search PDB for entries with ligand similarity: