Reaction Details  Report a problem with these data
Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50269845
Substrate
n/a
Meas. Tech.
ChEMBL_1707360 (CHEMBL4058593)
IC50
1000±n/a nM
Citation
 Tian, LW; Feng, Y; Tran, TD; Shimizu, Y; Pfeifer, T; Vu, HT; Quinn, RJ Achyrodimer F, a tyrosyl-DNA phosphodiesterase I inhibitor from an Australian fungus of the family Cortinariaceae. Bioorg Med Chem Lett 27:4007-4010 (2017) [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:
BDBM50269845
Synonyms:
CHEMBL4077630
Type:
Small organic molecule
Emp. Form.:
C26H20O8
Mol. Mass.:
460.4322
SMILES:
Oc1ccc(cc1)[C@H]1[C@@H]([C@@H]([C@H]1c1cc(O)cc(=O)o1)c1ccc(O)cc1)c1cc(O)cc(=O)o1 |r|
Structure:
Search PDB for entries with ligand similarity: