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Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50540219
Substrate
n/a
Meas. Tech.
ChEMBL_1981000 (CHEMBL4614262)
IC50
99±n/a nM
Citation
 Mamontova, EM; Zakharenko, AL; Zakharova, OD; Dyrkheeva, NS; Volcho, KP; Reynisson, J; Arabshahi, HJ; Salakhutdinov, NF; Lavrik, OI Identification of novel inhibitors for the tyrosyl-DNA-phosphodiesterase 1 (Tdp1) mutant SCAN1 using virtual screening. Bioorg Med Chem 28:0 (2020) [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:
BDBM50540219
Synonyms:
CHEMBL4642359
Type:
Small organic molecule
Emp. Form.:
C25H14Cl2O5
Mol. Mass.:
465.282
SMILES:
Clc1cccc(Cl)c1COc1ccc2c(cc(=O)oc2c1)-c1cc2ccccc2oc1=O
Structure:
Search PDB for entries with ligand similarity: