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Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50507151
Substrate
n/a
Meas. Tech.
ChEMBL_2193693 (CHEMBL5106053)
IC50
26±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:
BDBM50507151
Synonyms:
CHEMBL4438274
Type:
Small organic molecule
Emp. Form.:
C26H20BrN3O6S
Mol. Mass.:
582.422
SMILES:
CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3-c3csc(N\N=C\c4ccc(Br)cc4)n3)[C@@]2(C)C1=O |r,c:3,t:6|
Structure:
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