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Target
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
Ligand
BDBM231068
Substrate
n/a
Meas. Tech.
Tankyrase Biochemical Assays
Temperature
298.15±n/a K
IC50
9.01±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:
Human
Description:
O95271[1091-1325]
Residue:
235
Sequence:
QGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTATAAEQ
  
Inhibitor
Name:
BDBM231068
Synonyms:
US9340549, 91
Type:
Small organic molecule
Emp. Form.:
C22H24N4O3
Mol. Mass.:
392.451
SMILES:
C[C@@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:1.0,4.3,wD:7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)|
Structure:
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