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Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50495332
Substrate
n/a
Meas. Tech.
ChEMBL_1287124 (CHEMBL3111913)
IC50
20±n/a nM
Citation
 Abdel-Magid, AF Tankyrase inhibitors: potential treatment of hyperproliferative diseases. ACS Med Chem Lett 5:10-1 (2014) [PubMed]  Article 
Target
Name:
Poly [ADP-ribose] polymerase tankyrase-2
Synonyms:
(ARTD6 or PARP5b) | PARP5B | Poly [ADP-ribose] polymerase tankyrase-2 | TANK2 | TNKL | TNKS2 | TNKS2_HUMAN | TPoly [ADP-ribose] polymerase tankyrase-2 | Tankyrase 2 | Tankyrase II | Tankyrase-2 | Tankyrase-2 (TNKS-2) | Tankyrase-2 (TNKS2)
Type:
Enzyme
Mol. Mass.:
126937.16
Organism:
Homo sapiens (Human)
Description:
Q9H2K2
Residue:
1166
Sequence:
MSGRRCAGGGAACASAAAEAVEPAARELFEACRNGDVERVKRLVTPEKVNSRDTAGRKSTPLHFAAGFGRKDVVEYLLQNGANVQARDDGGLIPLHNACSFGHAEVVNLLLRHGADPNARDNWNYTPLHEAAIKGKIDVCIVLLQHGAEPTIRNTDGRTALDLADPSAKAVLTGEYKKDELLESARSGNEEKMMALLTPLNVNCHASDGRKSTPLHLAAGYNRVKIVQLLLQHGADVHAKDKGDLVPLHNACSYGHYEVTELLVKHGACVNAMDLWQFTPLHEAASKNRVEVCSLLLSYGADPTLLNCHNKSAIDLAPTPQLKERLAYEFKGHSLLQAAREADVTRIKKHLSLEMVNFKHPQTHETALHCAAASPYPKRKQICELLLRKGANINEKTKEFLTPLHVASEKAHNDVVEVVVKHEAKVNALDNLGQTSLHRAAYCGHLQTCRLLLSYGCDPNIISLQGFTALQMGNENVQQLLQEGISLGNSEADRQLLEAAKAGDVETVKKLCTVQSVNCRDIEGRQSTPLHFAAGYNRVSVVEYLLQHGADVHAKDKGGLVPLHNACSYGHYEVAELLVKHGAVVNVADLWKFTPLHEAAAKGKYEICKLLLQHGADPTKKNRDGNTPLDLVKDGDTDIQDLLRGDAALLDAAKKGCLARVKKLSSPDNVNCRDTQGRHSTPLHLAAGYNNLEVAEYLLQHGADVNAQDKGGLIPLHNAASYGHVDVAALLIKYNACVNATDKWAFTPLHEAAQKGRTQLCALLLAHGADPTLKNQEGQTPLDLVSADDVSALLTAAMPPSALPSCYKPQVLNGVRSPGATADALSSGPSSPSSLSAASSLDNLSGSFSELSSVVSSSGTEGASSLEKKEVPGVDFSITQFVRNLGLEHLMDIFEREQITLDVLVEMGHKELKEIGINAYGHRHKLIKGVERLISGQQGLNPYLTLNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMKMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPEGMVDG
  
Inhibitor
Name:
BDBM50495332
Synonyms:
CHEMBL3109648
Type:
Small organic molecule
Emp. Form.:
C26H23F4N3O4
Mol. Mass.:
517.4721
SMILES:
Cc1c(F)ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12 |r,wU:28.32,wD:25.25,(15.29,-18.93,;15.3,-20.47,;13.97,-21.24,;12.63,-20.47,;13.96,-22.79,;15.3,-23.56,;16.63,-22.78,;17.96,-23.55,;17.95,-25.09,;16.62,-25.86,;15.29,-25.08,;13.96,-25.85,;13.95,-27.39,;15.29,-28.16,;16.62,-27.4,;17.95,-28.15,;19.29,-28.93,;15.29,-29.7,;13.96,-30.48,;16.63,-30.48,;15.28,-31.24,;19.3,-22.79,;20.64,-23.56,;19.3,-21.24,;20.64,-20.47,;21.98,-21.25,;21.96,-22.79,;23.29,-23.55,;24.62,-22.8,;24.63,-21.26,;23.3,-20.47,;25.95,-23.57,;25.95,-25.12,;27.29,-22.82,;17.96,-20.46,;17.96,-18.92,;16.63,-21.24,)|
Structure:
Search PDB for entries with ligand similarity: