Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]
Ligand
BDBM259612
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.179±n/a nM
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, X Quinazolinone compounds and derivatives thereof US Patent  US9505749 Publication Date 11/29/2016 
Target
Name:
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]
Synonyms:
PARP5B | TANK2 | TNKL | TNKS2 | TNKS2_HUMAN | Tankyrase-2
Type:
Enzyme
Mol. Mass.:
24581.05
Organism:
Homo sapiens (Human)
Description:
aa 946-1162
Residue:
217
Sequence:
LNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMKMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPEG
  
Inhibitor
Name:
BDBM259612
Synonyms:
US9505749, 125
Type:
Small organic molecule
Emp. Form.:
C25H24ClN5O3S
Mol. Mass.:
510.008
SMILES:
Clc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(11.45,-6.56,;10.36,-5.47,;8.87,-5.87,;7.78,-4.78,;8.18,-3.3,;9.67,-2.9,;10.76,-3.99,;7.09,-2.21,;7.09,-.67,;5.63,-.19,;4.72,-1.44,;5.63,-2.68,;3.18,-1.44,;2.41,-.1,;.87,-.1,;.1,-1.44,;.87,-2.77,;2.41,-2.77,;-1.44,-1.44,;-2.21,-.1,;-1.44,1.23,;-3.75,-.1,;-4.52,1.23,;-6.06,1.23,;-6.83,2.56,;-8.37,2.56,;-9.14,3.9,;-10.68,3.9,;-11.45,5.23,;-10.68,6.56,;-9.14,6.56,;-8.37,5.23,;-6.83,5.23,;-6.06,6.56,;-6.06,3.9,)|
Structure:
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