Reaction Details |
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Target | DNA topoisomerase 1 |
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Ligand | BDBM50378912 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_760771 (CHEMBL1815756) |
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Kd | 2.65±n/a nM |
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Citation | Lauro, G; Romano, A; Riccio, R; Bifulco, G Inverse virtual screening of antitumor targets: pilot study on a small database of natural bioactive compounds. J Nat Prod74:1401-7 (2011) [PubMed] Article |
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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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BDBM50378912 |
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n/a |
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Name | BDBM50378912 |
Synonyms: | CHEMBL1813809 |
Type | Small organic molecule |
Emp. Form. | C24H23N3O6 |
Mol. Mass. | 449.4559 |
SMILES | CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N/OCCCO)c3Cn1c2=O |r| |
Structure |
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