Reaction Details  Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50579973
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
2.40±n/a nM
Citation
 Krauss, S; Nazare, M; Lehtio, L; Waaler, J; Wegert, A; Leenders, RG 1,2,4-triazole derivatives as tankyrase inhibitors US Patent  US11926614 Publication Date 3/12/2024
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:
BDBM50579973
Synonyms:
CHEMBL5082704 | US11926614, Example 83
Type:
Small organic molecule
Emp. Form.:
C28H26N6O2S
Mol. Mass.:
510.61
SMILES:
CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3cccnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(55.93,-41.05,;56.82,-39.82,;58.34,-39.97,;59.23,-38.74,;60.76,-38.9,;61.65,-37.67,;61.03,-36.28,;59.51,-36.12,;58.61,-37.35,;61.93,-35.05,;61.45,-33.58,;62.7,-32.67,;63.95,-33.58,;65.42,-33.09,;66.79,-33.8,;67.5,-32.43,;66.12,-31.72,;68.98,-31.95,;69.3,-30.44,;68.15,-29.4,;70.78,-29.96,;71.08,-28.44,;72.55,-27.96,;73.71,-29,;73.39,-30.51,;74.53,-31.54,;74.22,-33.05,;72.74,-33.53,;71.6,-32.5,;71.92,-30.99,;63.47,-35.05,;64.37,-36.29,;63.9,-37.74,;65.13,-38.63,;66.36,-37.74,;67.81,-38.21,;65.89,-36.29,)|
Structure:
Search PDB for entries with ligand similarity: