Reaction Details Report a problem with these data
Target
Tyrosyl-DNA phosphodiesterase 2
Ligand
BDBM50438849
Substrate
n/a
Meas. Tech.
ChEMBL_978867 (CHEMBL2423658)
EC50
370±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
More Info.:
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:
BDBM50438849
Synonyms:
CHEMBL2420479
Type:
Small organic molecule
Emp. Form.:
C19H10N6O2
Mol. Mass.:
354.3217
SMILES:
O=c1nc2n(-c3cccc4[nH]ncc34)c3cc(ccc3cc2c(=O)[nH]1)C#N |(2.87,-6.9,;4.21,-6.12,;5.54,-6.89,;6.87,-6.12,;8.2,-6.89,;8.2,-8.43,;6.86,-9.18,;6.86,-10.72,;8.19,-11.49,;9.53,-10.71,;10.99,-11.18,;11.88,-9.94,;10.97,-8.71,;9.52,-9.19,;9.54,-6.12,;10.87,-6.89,;12.21,-6.12,;12.21,-4.58,;10.87,-3.8,;9.54,-4.58,;8.2,-3.8,;6.87,-4.58,;5.54,-3.8,;5.54,-2.26,;4.21,-4.58,;13.54,-6.89,;14.88,-7.67,)|