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Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50579971
Substrate
n/a
Meas. Tech.
ChEMBL_2146090 (CHEMBL5030370)
IC50
0.730000±n/a nM
Citation
 Leenders, RGG; Brinch, SA; Sowa, ST; Amundsen-Isaksen, E; Galera-Prat, A; Murthy, S; Aertssen, S; Smits, JN; Nieczypor, P; Damen, E; Wegert, A; Nazaré, M; Lehtiö, L; Waaler, J; Krauss, S Development of a 1,2,4-Triazole-Based Lead Tankyrase Inhibitor: Part II. J Med Chem 64:17936-17949 (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:
BDBM50579971
Synonyms:
CHEMBL5070513
Type:
Small organic molecule
Emp. Form.:
C27H25N7O2S
Mol. Mass.:
511.598
SMILES:
CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccnc3cccnc23)n1-c1ccc(C)s1 |r,wU:15.18,wD:13.13,(17.7,-41.14,;18.6,-39.9,;20.11,-40.06,;21.01,-38.83,;22.53,-38.99,;23.42,-37.75,;22.81,-36.37,;21.29,-36.2,;20.39,-37.43,;23.7,-35.14,;23.23,-33.67,;24.47,-32.76,;25.73,-33.67,;27.2,-33.18,;28.57,-33.89,;29.28,-32.52,;27.9,-31.81,;30.75,-32.04,;31.08,-30.53,;29.93,-29.49,;32.55,-30.04,;32.86,-28.53,;34.33,-28.05,;35.49,-29.08,;35.17,-30.6,;36.31,-31.63,;35.99,-33.13,;34.52,-33.62,;33.38,-32.58,;33.7,-31.08,;25.25,-35.14,;26.15,-36.38,;25.67,-37.82,;26.91,-38.72,;28.14,-37.83,;29.59,-38.3,;27.67,-36.38,)|
Structure:
Search PDB for entries with ligand similarity: