Reaction Details |
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Target | Tyrosyl-DNA phosphodiesterase 1 |
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Ligand | BDBM50463386 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1778170 (CHEMBL4235162) |
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IC50 | 340±n/a nM |
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Citation | Zakharova, O; Luzina, O; Zakharenko, A; Sokolov, D; Filimonov, A; Dyrkheeva, N; Chepanova, A; Ilina, E; Ilyina, A; Klabenkova, K; Chelobanov, B; Stetsenko, D; Zafar, A; Eurtivong, C; Reynisson, J; Volcho, K; Salakhutdinov, N; Lavrik, O Synthesis and evaluation of aryliden- and hetarylidenfuranone derivatives of usnic acid as highly potent Tdp1 inhibitors. Bioorg Med Chem26:4470-4480 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Tyrosyl-DNA phosphodiesterase 1 |
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Name: | Tyrosyl-DNA phosphodiesterase 1 |
Synonyms: | TDP1 | TYDP1_HUMAN | Tyrosyl-DNA phosphodiesterase 1 | Tyrosyl-DNA phosphodiesterase 1 (TDP1) |
Type: | Enzyme |
Mol. Mass.: | 68430.66 |
Organism: | Homo sapiens (Human) |
Description: | Q9NUW8 |
Residue: | 608 |
Sequence: | MSQEGDYGRWTISSSDESEEEKPKPDKPSTSSLLCARQGAANEPRYTCSEAQKAAHKRKI
SPVKFSNTDSVLPPKRQKSGSQEDLGWCLSSSDDELQPEMPQKQAEKVVIKKEKDISAPN
DGTAQRTENHGAPACHRLKEEEDEYETSGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNS
GALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHA
QAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSP
LYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPG
RFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESM
LTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKW
SAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELG
VLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDT
HGNMWVPS
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BDBM50463386 |
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n/a |
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Name | BDBM50463386 |
Synonyms: | CHEMBL4242317 |
Type | Small organic molecule |
Emp. Form. | C26H20O8 |
Mol. Mass. | 460.4322 |
SMILES | COc1ccc(\C=C2/Oc3c(C2=O)c2OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c2c(O)c3C)cc1 |r,t:16,19| |
Structure |
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