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Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50557884
Substrate
n/a
Meas. Tech.
ChEMBL_2060531 (CHEMBL4715532)
IC50
50±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:
BDBM50557884
Synonyms:
CHEMBL4759701
Type:
Small organic molecule
Emp. Form.:
C31H28F3N5O3
Mol. Mass.:
575.5809
SMILES:
Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:27.31,wD:24.24,(4.19,-28.22,;4.2,-29.76,;2.87,-30.54,;2.87,-32.08,;4.2,-32.85,;5.54,-32.08,;6.88,-32.85,;6.88,-34.39,;5.55,-35.16,;4.22,-34.39,;2.89,-35.17,;2.89,-36.71,;4.24,-37.47,;5.56,-36.7,;6.91,-37.46,;8.25,-38.22,;4.25,-39.01,;2.84,-39.71,;5.83,-39.15,;4.09,-40.46,;8.22,-32.07,;9.56,-32.84,;8.22,-30.52,;9.55,-29.74,;10.89,-30.51,;10.88,-32.05,;12.21,-32.82,;13.55,-32.05,;13.54,-30.51,;12.21,-29.74,;14.88,-32.82,;14.88,-34.36,;16.21,-32.05,;17.55,-32.82,;17.54,-34.36,;18.87,-35.13,;20.21,-34.37,;20.2,-32.82,;18.87,-32.05,;6.87,-29.74,;6.86,-28.19,;5.53,-30.53,)|
Structure:
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