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Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50250877
Substrate
n/a
Meas. Tech.
ChEMBL_1682547 (CHEMBL4032824)
IC50
430±n/a nM
Citation
 Anumala, UR; Waaler, J; Nkizinkiko, Y; Ignatev, A; Lazarow, K; Lindemann, P; Olsen, PA; Murthy, S; Obaji, E; Majouga, AG; Leonov, S; von Kries, JP; Lehtiö, L; Krauss, S; Nazaré, M Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. J Med Chem 60:10013-10025 (2017) [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:
BDBM50250877
Synonyms:
CHEMBL4084811
Type:
Small organic molecule
Emp. Form.:
C25H22ClN7O
Mol. Mass.:
471.941
SMILES:
Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:21.27,wD:18.20,(20.48,-13.16,;19.15,-13.93,;19.15,-15.47,;17.81,-16.25,;16.48,-15.47,;16.48,-13.93,;17.81,-13.16,;17.81,-11.16,;19.06,-10.25,;18.59,-8.79,;17.04,-8.79,;16.57,-10.25,;15.1,-10.73,;14.78,-12.23,;13.32,-12.71,;12.17,-11.68,;12.49,-10.18,;13.96,-9.69,;20.52,-10.73,;20.85,-12.23,;22.31,-12.71,;23.46,-11.68,;23.14,-10.18,;21.67,-9.69,;24.92,-12.15,;25.4,-13.62,;24.62,-14.96,;25.4,-16.29,;26.93,-16.29,;27.71,-14.96,;26.93,-13.62,;27.42,-12.15,;26.17,-11.25,;26.17,-9.71,)|
Structure:
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