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Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50557889
Substrate
n/a
Meas. Tech.
ChEMBL_2060531 (CHEMBL4715532)
IC50
316±n/a nM
Citation
 Qin, D; Lin, X; Liu, Z; Chen, Y; Zhang, Z; Wu, C; Liu, L; Pan, Y; Laquerre, S; Emery, J; Fergusson, J; Roland, K; Keenan, R; Oliff, A; Kumar, S; Cheung, M; Su, DS Discovery of Orally Bioavailable Ligand Efficient Quinazolindiones as Potent and Selective Tankyrases Inhibitors. ACS Med Chem Lett 12:1005-1010 (2021) [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:
BDBM50557889
Synonyms:
CHEMBL4780670
Type:
Small organic molecule
Emp. Form.:
C28H26N6O3
Mol. Mass.:
494.5444
SMILES:
O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3cnccc3c2=O)CC1 |r,wU:9.9,wD:12.13,(62.29,-50.17,;62.29,-48.63,;63.62,-47.86,;64.96,-48.64,;64.95,-50.17,;66.28,-50.95,;67.62,-50.18,;67.62,-48.63,;66.28,-47.86,;60.96,-47.86,;59.62,-48.63,;58.29,-47.87,;58.3,-46.32,;56.96,-45.55,;55.63,-46.33,;55.64,-47.88,;56.97,-48.65,;54.29,-48.66,;54.3,-50.2,;52.96,-50.98,;51.63,-50.21,;50.3,-50.98,;50.3,-52.52,;51.65,-53.29,;52.97,-52.51,;54.32,-53.27,;55.66,-54.03,;52.95,-47.89,;51.61,-48.66,;50.28,-47.89,;50.28,-46.35,;51.61,-45.58,;52.94,-46.34,;54.28,-45.55,;54.27,-44.01,;59.62,-45.55,;60.96,-46.32,)|
Structure:
Search PDB for entries with ligand similarity: