Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]
Ligand
BDBM259519
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.191±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:
BDBM259519
Synonyms:
US9505749, 30
Type:
Small organic molecule
Emp. Form.:
C27H29N5O4
Mol. Mass.:
487.5503
SMILES:
COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.62,-9.5,;.22,-8.01,;1.31,-6.92,;.91,-5.43,;2,-4.34,;3.48,-4.74,;3.88,-6.23,;2.79,-7.32,;4.57,-3.65,;6.11,-3.65,;6.59,-2.19,;5.34,-1.28,;4.1,-2.19,;5.34,.26,;6.68,1.03,;6.68,2.57,;5.34,3.34,;4.01,2.57,;4.01,1.03,;5.33,4.88,;3.99,5.65,;3.99,7.19,;2.66,4.88,;1.33,5.65,;-.01,4.88,;-1.34,5.65,;-2.68,4.88,;-4.01,5.65,;-5.34,4.88,;-6.68,5.65,;-6.68,7.19,;-5.34,7.96,;-4.01,7.19,;-2.68,7.96,;-2.68,9.5,;-1.34,7.19,)|
Structure:
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