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Target
Poly [ADP-ribose] polymerase tankyrase-2
Ligand
BDBM50250879
Substrate
n/a
Meas. Tech.
ChEMBL_1682548 (CHEMBL4032825)
IC50
>10000±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:
BDBM50250879
Synonyms:
CHEMBL4064869
Type:
Small organic molecule
Emp. Form.:
C26H15ClN8O
Mol. Mass.:
490.903
SMILES:
Clc1ccccc1-n1c(nnc1-c1ccncn1)-c1ccc(cc1)-n1c2ccc(cc2[nH]c1=O)C#N |(25.56,-15.85,;24.02,-16.05,;23.44,-17.48,;21.9,-17.68,;20.97,-16.43,;21.57,-15.02,;23.09,-14.83,;23.69,-13.41,;25.18,-13,;25.24,-11.47,;23.79,-10.94,;22.84,-12.13,;21.3,-12.13,;20.53,-13.46,;18.98,-13.46,;18.21,-12.13,;18.98,-10.8,;20.53,-10.8,;26.43,-13.89,;26.28,-15.43,;27.54,-16.32,;28.94,-15.68,;29.08,-14.14,;27.83,-13.24,;30.18,-16.57,;30.27,-18.1,;29.18,-19.2,;29.57,-20.66,;31.07,-21.07,;32.15,-19.99,;31.75,-18.5,;32.58,-17.2,;31.62,-16.02,;32.03,-14.53,;31.48,-22.56,;31.89,-24.06,)|
Structure:
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