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Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50427991
Substrate
n/a
Meas. Tech.
ChEMBL_941156 (CHEMBL2330982)
IC50
12300±n/a nM
Citation
 Voronkov, A; Holsworth, DD; Waaler, J; Wilson, SR; Ekblad, B; Perdreau-Dahl, H; Dinh, H; Drewes, G; Hopf, C; Morth, JP; Krauss, S Structural basis and SAR for G007-LK, a lead stage 1,2,4-triazole based specific tankyrase 1/2 inhibitor. J Med Chem 56:3012-23 (2013) [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:
BDBM50427991
Synonyms:
CHEMBL2325501
Type:
Small organic molecule
Emp. Form.:
C23H14ClFN6O2
Mol. Mass.:
460.848
SMILES:
Fc1ccc(cc1)-c1nnc(C=Cc2nnc(o2)-c2cc[nH]c(=O)c2)n1-c1ccccc1Cl |w:11.11,(19.56,-34.16,;18.1,-34.64,;17.78,-36.15,;16.31,-36.62,;15.17,-35.59,;15.49,-34.09,;16.94,-33.61,;13.71,-36.06,;13.23,-37.53,;11.69,-37.53,;11.22,-36.06,;9.75,-35.59,;8.61,-36.62,;7.14,-36.14,;6.67,-34.67,;5.13,-34.67,;4.65,-36.14,;5.9,-37.04,;3.19,-36.62,;2.87,-38.12,;1.41,-38.6,;.27,-37.57,;.59,-36.06,;-.56,-35.03,;2.04,-35.58,;12.46,-35.16,;12.47,-33.62,;13.8,-32.85,;13.8,-31.3,;12.46,-30.53,;11.14,-31.31,;11.13,-32.85,;9.8,-33.62,)|
Structure:
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