Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM259600
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
0.323±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:
Homo sapiens (Human)
Description:
O95271[1091-1325]
Residue:
235
Sequence:
QGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQ
  
Inhibitor
Name:
BDBM259600
Synonyms:
US9505749, 113
Type:
Small organic molecule
Emp. Form.:
C24H23ClN4O3S
Mol. Mass.:
482.982
SMILES:
Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1C#N |r,wU:9.12,wD:6.5,(6.67,-5.77,;6.67,-4.24,;8,-3.47,;8,-1.93,;6.67,-1.16,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.46,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.46,;1.33,5,;2.67,5.77,;,5.77,;-1.33,5,;-2.67,5.77,;-4,5,;-4,3.46,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.46,;-6.67,5,;-8,5.77,;-5.33,5.77,;5.33,-1.93,;5.33,-3.47,;4,-4.24,;2.67,-5.01,)|
Structure:
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