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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231042
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
3.42±n/a nM
Comments
extracted
Citation
 Bregman, H; Buchanan, JL; Chakka, N; Dimauro, EF; Gunaydin, H; Guzman-Perez, A; Hua, Z; Huang, H; Huang, X; Martin, MW; Patel, VF Oxazolidinone compounds and derivatives thereof US Patent  US9340549 Publication Date 5/17/2016 
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:
BDBM231042
Synonyms:
US9340549, 61
Type:
Small organic molecule
Emp. Form.:
C25H25FN4O3
Mol. Mass.:
448.4894
SMILES:
CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:7.8,18.23,wD:15.16,(-7.62,.77,;-6.28,1.54,;-7.05,.2,;-6.28,3.08,;-4.82,3.55,;-4.05,4.89,;-3.91,2.31,;-4.82,1.06,;-4.42,-.43,;-5.51,-1.51,;-5.11,-3,;-3.62,-3.4,;-3.23,-4.89,;-2.53,-2.31,;-2.93,-.82,;-2.37,2.31,;-1.6,.97,;-.06,.97,;.71,2.31,;-.06,3.64,;-1.6,3.64,;2.25,2.31,;3.15,1.06,;2.83,-.44,;3.98,-1.47,;5.44,-1,;5.76,.51,;4.62,1.54,;4.62,3.08,;3.15,3.55,;2.38,4.89,;6.58,-2.03,;7.73,-3.06,)|
Structure:
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