Target
Tyrosyl-DNA phosphodiesterase 1
Ligand
BDBM50534270
Substrate
n/a
Meas. Tech.
ChEMBL_1928074 (CHEMBL4431146)
IC50
5.0±n/a nM
Citation
 Laev, SSSalakhutdinov, NFLavrik, 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:
BDBM50534270
Synonyms:
CHEMBL4464463
Type:
Small organic molecule
Emp. Form.:
C29H32FN7O5S
Mol. Mass.:
609.672
SMILES:
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CNc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)CC1
Structure:
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