Target
DNA topoisomerase 1
Ligand
BDBM50164200
Substrate
n/a
Meas. Tech.
ChEMBL_304191 (CHEMBL829186)
EC50
6.4±n/a nM
Citation
 Saulnier, MGBalasubramanian, BNLong, BHFrennesson, DBRuediger, EZimmermann, KEummer, JTSt Laurent, DRStoffan, KMNaidu, BNMahler, MBeaulieu, FBachand, CLee, FYFairchild, CRStadnick, LKRose, WCSolomon, CWong, HMartel, AWright, JJKramer, RLangley, DRVyas, DM Discovery of a fluoroindolo[2,3-a]carbazole clinical candidate with broad spectrum antitumor activity in preclinical tumor models superior to the marketed oncology drug, CPT-11. J Med Chem 48:2258-61 (2005) [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:
BDBM50164200
Synonyms:
2,3,9,10-tetrafluoro-13-(5-fluoro-3,4-dihydroxy-6-hydroxymethyltetrahydro-2H-2-pyranyl)-5,6,7,13-tetrahydrobenzo[4,5]thieno[2,3-a]pyrrolo[4,3-c]carbazole-5,7-dione | CHEMBL435888
Type:
Small organic molecule
Emp. Form.:
C26H15F5N2O6S
Mol. Mass.:
578.464
SMILES:
OCC1OC(C(O)C(O)C1F)n1c2cc(F)c(F)cc2c2c3C(=O)NC(=O)c3c3c4cc(F)c(F)cc4sc3c12
Structure:
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