Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM259601
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.176±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-1 [1091-1325]
Synonyms:
PARP5A | PARPL | TIN1 | TINF1 | TNKS | TNKS1 | TNKS1_HUMAN | Tankyrase-1
Type:
Enzyme
Mol. Mass.:
26714.90
Organism:
Human
Description:
O95271[1091-1325]
Residue:
235
Sequence:
QGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQ
  
Inhibitor
Name:
BDBM259601
Synonyms:
US9505749, 114
Type:
Small organic molecule
Emp. Form.:
C24H23ClN4O3S
Mol. Mass.:
482.982
SMILES:
Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:8.11,wD:5.4,(4,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;6.67,1.15,;5.33,1.93,;5.33,3.47,;4,4.23,;2.67,3.47,;2.67,1.93,;4,1.15,;1.33,4.23,;1.33,5.78,;2.67,6.54,;,6.54,;-1.33,5.78,;-2.67,6.54,;-4,5.78,;-4,4.23,;-5.33,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-8,3.47,;-6.67,4.23,;-6.67,5.78,;-8,6.54,;-5.33,6.54,;8,-1.15,;8,-2.69,;6.67,-3.47,;6.67,-5,;6.67,-6.54,)|
Structure:
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