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Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50534268
Substrate
n/a
Meas. Tech.
ChEMBL_1928074 (CHEMBL4431146)
IC50
22±n/a nM
Citation
 Laev, SS; Salakhutdinov, NF; Lavrik, OI Tyrosyl-DNA phosphodiesterase inhibitors: Progress and potential. Bioorg Med Chem 24:5017-5027 (2016) [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:
BDBM50534268
Synonyms:
CHEMBL4571632
Type:
Small organic molecule
Emp. Form.:
C32H36FN7O6S
Mol. Mass.:
665.735
SMILES:
COc1c(N2CCN(CNc3ccc(cc3)S(=O)(=O)Nc3nc(C)cc(C)n3)C(C)C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
Structure:
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