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Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50589478
Substrate
n/a
Meas. Tech.
ChEMBL_2193693 (CHEMBL5106053)
IC50
16±n/a nM
Citation
 Ivankin, DI; Dyrkheeva, NS; Zakharenko, AL; Ilina, ES; Zarkov, TO; Reynisson, J; Luzina, OA; Volcho, KP; Salakhutdinov, NF; Lavrik, OI Monoterpene substituted thiazolidin-4-ones as novel TDP1 inhibitors: Synthesis, biological evaluation and docking. Bioorg Med Chem Lett 73:0 (2022) [PubMed] 
Target
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:
MSQEGDYGRWTISSSDESEEEKPKPDKPSTSSLLCARQGAANEPRYTCSEAQKAAHKRKISPVKFSNTDSVLPPKRQKSGSQEDLGWCLSSSDDELQPEMPQKQAEKVVIKKEKDISAPNDGTAQRTENHGAPACHRLKEEEDEYETSGEGQDIWDMLDKGNPFQFYLTRVSGVKPKYNSGALHIKDILSPLFGTLVSSAQFNYCFDVDWLVKQYPPEFRKKPILLVHGDKREAKAHLHAQAKPYENISLCQAKLDIAFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSPLYPRIADGTHKSGESPTHFKADLISYLMAYNAPSLKEWIDVIHKHDLSETNVYLIGSTPGRFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGADESKWLCSEFKESMLTLGKESKTPGKSSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQTAEKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSANLSKAAWGALEKNGTQLMIRSYELGVLFLPSAFGLDSFKVKQKFFAGSQEPMATFPVPYDLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVPS
  
Inhibitor
Name:
BDBM50589478
Synonyms:
CHEMBL5187480
Type:
Small organic molecule
Emp. Form.:
C29H33N3O6S
Mol. Mass.:
551.654
SMILES:
[#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#7]\[#7]-c1nc(cs1)-c1c2-[#8]-[#6]3=[#6]-[#6](-[#8])=[#6](-[#6](-[#6])=O)-[#6](=O)[C@]3([#6])c2c(-[#8])c(-[#6])c1-[#8] |r,t:21,24|
Structure:
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