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Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50530469
Substrate
n/a
Meas. Tech.
ChEMBL_1912627 (CHEMBL4415210)
IC50
110±n/a nM
Citation
 Kovaleva, K; Oleshko, O; Mamontova, E; Yarovaya, O; Zakharova, O; Zakharenko, A; Kononova, A; Dyrkheeva, N; Cheresiz, S; Pokrovsky, A; Lavrik, O; Salakhutdinov, N Dehydroabietylamine Ureas and Thioureas as Tyrosyl-DNA Phosphodiesterase 1 Inhibitors That Enhance the Antitumor Effect of Temozolomide on Glioblastoma Cells. J Nat Prod 82:2443-2450 (2019) [PubMed]  Article 
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:
BDBM50530469
Synonyms:
CHEMBL4442276
Type:
Small organic molecule
Emp. Form.:
C49H68N4O2
Mol. Mass.:
745.0898
SMILES:
[H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)Nc1ccc(C)c(NC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(cc4CC[C@@]23[H])C(C)C)c1)C(C)C |r|
Structure:
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