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Target
DNA topoisomerase 1
Ligand
BDBM50045381
Substrate
n/a
Meas. Tech.
ChEMBL_208261 (CHEMBL813222)
IC50
69±n/a nM
Citation
 Wall, ME; Wani, MC; Nicholas, AW; Manikumar, G; Tele, C; Moore, L; Truesdale, A; Leitner, P; Besterman, JM Plant antitumor agents. 30. Synthesis and structure activity of novel camptothecin analogs. J Med Chem 36:2689-700 (1993) [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:
BDBM50045381
Synonyms:
(20R)-15-amino-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11-dione | (20RS)-15-amino-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11-dione | (20S)-15-amino-7-ethyl-7-hydroxy-7,8,11,13-tetrahydro-10H-[1,3]dioxolo[5,4-g]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-8,11-dione | CHEMBL90761
Type:
Small organic molecule
Emp. Form.:
C21H17N3O6
Mol. Mass.:
407.3762
SMILES:
CCC1(O)C(=O)OCc2c1cc1-c3nc4cc5OCOc5c(N)c4cc3Cn1c2=O
Structure:
Search PDB for entries with ligand similarity: