Reaction Details |
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Target | DNA topoisomerase 1 |
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Ligand | BDBM50034013 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_53708 (CHEMBL664468) |
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IC50 | 28±n/a nM |
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Citation | Wintner, EA; Moallemi, CC Quantized surface complementarity diversity (QSCD): a model based on small molecule-target complementarity. J Med Chem43:1993-2006 (2000) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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DNA topoisomerase 1 |
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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: | MSGDHLHNDSQIEADFRLNDSHKHKDKHKDREHRHKEHKKEKDREKSKHSNSEHKDSEKK
HKEKEKTKHKDGSSEKHKDKHKDRDKEKRKEEKVRASGDAKIKKEKENGFSSPPQIKDEP
EDDGYFVPPKEDIKPLKRPRDEDDADYKPKKIKTEDTKKEKKRKLEEEEDGKLKKPKNKD
KDKKVPEPDNKKKKPKKEEEQKWKWWEEERYPEGIKWKFLEHKGPVFAPPYEPLPENVKF
YYDGKVMKLSPKAEEVATFFAKMLDHEYTTKEIFRKNFFKDWRKEMTNEEKNIITNLSKC
DFTQMSQYFKAQTEARKQMSKEEKLKIKEENEKLLKEYGFCIMDNHKERIANFKIEPPGL
FRGRGNHPKMGMLKRRIMPEDIIINCSKDAKVPSPPPGHKWKEVRHDNKVTWLVSWTENI
QGSIKYIMLNPSSRIKGEKDWQKYETARRLKKCVDKIRNQYREDWKSKEMKVRQRAVALY
FIDKLALRAGNEKEEGETADTVGCCSLRVEHINLHPELDGQEYVVEFDFLGKDSIRYYNK
VPVEKRVFKNLQLFMENKQPEDDLFDRLNTGILNKHLQDLMEGLTAKVFRTYNASITLQQ
QLKELTAPDENIPAKILSYNRANRAVAILCNHQRAPPKTFEKSMMNLQTKIDAKKEQLAD
ARRDLKSAKADAKVMKDAKTKKVVESKKKAVQRLEEQLMKLEVQATDREENKQIALGTSK
LNYLDPRITVAWCKKWGVPIEKIYNKTQREKFAWAIDMADEDYEF
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BDBM50034013 |
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n/a |
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Name | BDBM50034013 |
Synonyms: | (S)-9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihydro-4H-2-oxa-6,8,12a-triaza-dibenzo[b,h]fluorene-3,13-dione | 9-Bromo-4-ethyl-4-hydroxy-11-methyl-1,12-dihydro-4H-2-oxa-6,8,12a-triaza-dibenzo[b,h]fluorene-3,13-dione | CHEMBL13935 |
Type | Small organic molecule |
Emp. Form. | C20H16BrN3O4 |
Mol. Mass. | 442.263 |
SMILES | CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cnc(Br)cc4c(C)c3Cn1c2=O |
Structure |
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