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Target
Tyrosyl-DNA phosphodiesterase 2
Ligand
BDBM50438867
Substrate
n/a
Meas. Tech.
ChEMBL_978850 (CHEMBL2423452)
IC50
27480±n/a nM
Citation
 Raoof, A; Depledge, P; Hamilton, NM; Hamilton, NS; Hitchin, JR; Hopkins, GV; Jordan, AM; Maguire, LA; McGonagle, AE; Mould, DP; Rushbrooke, M; Small, HF; Smith, KM; Thomson, GJ; Turlais, F; Waddell, ID; Waszkowycz, B; Watson, AJ; Ogilvie, DJ Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase II. J Med Chem 56:6352-70 (2013) [PubMed]  Article
Target
Name:
Tyrosyl-DNA phosphodiesterase 2
Synonyms:
EAP2 | EAPII | ETS1-associated protein 2 | ETS1-associated protein II | TDP2 | TRAF and TNF receptor-associated protein | TTRAP | TYDP2_HUMAN | Tyr-DNA phosphodiesterase 2 | Tyrosyl-DNA phosphodiesterase 2 | Tyrosyl-DNA phosphodiesterase 2 (hTDP2) | Tyrosyl-RNA phosphodiesterase | VPg unlinkase | hTDP2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
40916.54
Organism:
Homo sapiens (Human)
Description:
gi_23510348
Residue:
362
Sequence:
MELGSCLEGGREAAEEEGEPEVKKRRLLCVEFASVASCDAAVAQCFLAENDWEMERALNSYFEPPVEESALERRPETISEPKTYVDLTNEETTDSTTSKISPSEDTQQENGSMFSLITWNIDGLDLNNLSERARGVCSYLALYSPDVIFLQEVIPPYYSYLKKRSSNYEIITGHEEGYFTAIMLKKSRVKLKSQEIIPFPSTKMMRNLLCVHVNVSGNELCLMTSHLESTRGHAAERMNQLKMVLKKMQEAPESATVIFAGDTNLRDREVTRCGGLPNNIVDVWEFLGKPKHCQYTWDTQMNSNLGITAACKLRFDRIFFRAAAEEGHIIPRSLDLLGLEKLDCGRFPSDHWGLLCNLDIIL
  
Inhibitor
Name:
BDBM50438867
Synonyms:
CHEMBL2420504
Type:
Small organic molecule
Emp. Form.:
C17H10ClN3O3
Mol. Mass.:
339.733
SMILES:
Oc1ccccc1-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O |(39.96,-41.85,;38.63,-42.63,;38.63,-44.16,;37.3,-44.93,;35.97,-44.16,;35.98,-42.63,;37.31,-41.87,;37.31,-40.33,;38.64,-39.57,;39.97,-40.34,;41.31,-39.57,;42.65,-40.34,;41.31,-38.03,;39.97,-37.25,;38.64,-38.03,;37.31,-37.25,;35.98,-38.03,;35.98,-39.57,;34.65,-40.33,;33.32,-39.57,;31.99,-40.34,;33.32,-38.03,;34.65,-37.25,;34.65,-35.71,)|
Structure:
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