| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosyl-DNA phosphodiesterase 1 |
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| Ligand | BDBM50546515 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2016084 (CHEMBL4669662) |
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| IC50 | 31±n/a nM |
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| Citation |  Luzina, O; Filimonov, A; Zakharenko, A; Chepanova, A; Zakharova, O; Ilina, E; Dyrkheeva, N; Likhatskaya, G; Salakhutdinov, N; Lavrik, O Usnic Acid Conjugates with Monoterpenoids as Potent Tyrosyl-DNA Phosphodiesterase 1 Inhibitors. J Nat Prod83:2320-2329 (2020) [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 |
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| Synonyms: | TDP1 | TYDP1_HUMAN | Tyrosyl-DNA phosphodiesterase 1 | Tyrosyl-DNA phosphodiesterase 1 (TDP1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 68430.66 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9NUW8 |
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| Residue: | 608 |
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| Sequence: | MSQEGDYGRWTISSSDESEEEKPKPDKPSTSSLLCARQGAANEPRYTCSEAQKAAHKRKI
SPVKFSNTDSVLPPKRQKSGSQEDLGWCLSSSDDELQPEMPQKQAEKVVIKKEKDISAPN
DGTAQRTENHGAPACHRLKEEEDEYETSGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNS
GALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHA
QAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSP
LYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPG
RFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESM
LTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKW
SAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELG
VLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDT
HGNMWVPS
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| BDBM50546515 |
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| n/a |
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| Name | BDBM50546515 |
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| Synonyms: | CHEMBL4756604 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H31N3O6S |
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| Mol. Mass. | 549.638 |
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| SMILES | [H][C@@]12CC[C@@](C)(\C(C1)=N/Nc1nc(cs1)-c1c3OC4=CC(O)=C(C(C)=O)C(=O)[C@]4(C)c3c(O)c(C)c1O)C2(C)C |r,t:20,23| |
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| Structure | 
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