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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231053
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
174±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:
BDBM231053
Synonyms:
US9340549, 75
Type:
Small organic molecule
Emp. Form.:
C26H29N5O2
Mol. Mass.:
443.5408
SMILES:
CC1(C)OC(=O)N([C@@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,wD:7.8,14.15,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,.23,;-.07,.23,;.7,1.56,;-.07,2.9,;-1.61,2.9,;2.24,1.56,;3.01,2.9,;4.55,2.9,;5.32,1.56,;6.86,1.56,;4.55,.23,;3.01,.23,;5.32,-1.1,;4.55,-2.44,;5.32,-3.77,;6.86,-3.77,;7.63,-2.44,;6.86,-1.1,)|
Structure:
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