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Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50366388
Substrate
n/a
Meas. Tech.
ChEMBL_830581 (CHEMBL2061436)
IC50
8000000±n/a nM
Citation
 Nguyen, TX; Morrell, A; Conda-Sheridan, M; Marchand, C; Agama, K; Bermingham, A; Bermingam, A; Stephen, AG; Chergui, A; Naumova, A; Fisher, R; O'Keefe, BR; Pommier, Y; Cushman, M Synthesis and biological evaluation of the first dual tyrosyl-DNA phosphodiesterase I (Tdp1)-topoisomerase I (Top1) inhibitors. J Med Chem 55:4457-78 (2012) [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:
BDBM50366388
Synonyms:
NEOMYCIN | NEOMYCIN A
Type:
Small organic molecule
Emp. Form.:
C23H46N6O13
Mol. Mass.:
614.6437
SMILES:
NCC1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@@H](N)[C@H](O)[C@H]1O |r|
Structure:
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